N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide

C38H24N4O12S4 — CID 24999390

IUPACN-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide
SMILESO=C(c1ccccc1)N(O)c1cc2c(O)c(c1)Sc1cc([N+](=O)[O-])cc(c1O)Sc1cc(N(O)C(=O)c3ccccc3)cc(c1O)Sc1cc([N+](=O)[O-])cc(c1O)S2
InChIInChI=1S/C38H24N4O12S4/c43-33-25-11-21(39(49)37(47)19-7-3-1-4-8-19)12-26(33)56-30-16-24(42(53)54)18-32(36(30)46)58-28-14-22(40(50)38(48)20-9-5-2-6-10-20)13-27(34(28)44)57-31-17-23(41(51)52)15-29(55-25)35(31)45/h1-18,43-46,49-50H
InChIKeyNXLWBXADLJVXDY-UHFFFAOYSA-N
MW856.89 g/mol
LogP9.32
Rot. Bonds6

About N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide

N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide (PubChem CID 24999390) has the molecular formula C38H24N4O12S4 and a molecular weight of 856.89 g/mol. Its IUPAC name is N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide.

Molecular Properties

Compound NameN-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide
PubChem CID24999390
Molecular FormulaC38H24N4O12S4
Molecular Weight856.89 g/mol
Exact Mass856.03
IUPAC NameN-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide
SMILESO=C(c1ccccc1)N(O)c1cc2c(O)c(c1)Sc1cc([N+](=O)[O-])cc(c1O)Sc1cc(N(O)C(=O)c3ccccc3)cc(c1O)Sc1cc([N+](=O)[O-])cc(c1O)S2
InChIInChI=1S/C38H24N4O12S4/c43-33-25-11-21(39(49)37(47)19-7-3-1-4-8-19)12-26(33)56-30-16-24(42(53)54)18-32(36(30)46)58-28-14-22(40(50)38(48)20-9-5-2-6-10-20)13-27(34(28)44)57-31-17-23(41(51)52)15-29(55-25)35(31)45/h1-18,43-46,49-50H
InChIKeyNXLWBXADLJVXDY-UHFFFAOYSA-N
XLogP9.32
TPSA248.28 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500856.89
LogP ≤ 59.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide with MolForge

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Related Compounds

N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]-N-hydroxybenzamide
CID 136862731
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CID 71285821
3-nitrobenzoyl iodide
CID 87511250
N,N-dibenzyl-3,5-dinitroaniline
CID 7237184
N-benzyl-3,5-dinitrobenzamide
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N-benzyl-3,5-dinitro(11C)benzamide
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CID 175010901
(N-(3-nitrobenzoyl)anilino) acetate
CID 132609377
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CID 19211365
carbonic acid;nitrobenzene
CID 68662598

Frequently Asked Questions

What is the IUPAC name of N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide?
The IUPAC name of N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide (CID 24999390) is N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide.
What is the SMILES notation for N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide?
The canonical SMILES for N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide is O=C(c1ccccc1)N(O)c1cc2c(O)c(c1)Sc1cc([N+](=O)[O-])cc(c1O)Sc1cc(N(O)C(=O)c3ccccc3)cc(c1O)Sc1cc([N+](=O)[O-])cc(c1O)S2.
What is the InChIKey of N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide?
The InChIKey is NXLWBXADLJVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O12S4/c43-33-25-11-21(39(49)37(47)19-7-3-1-4-8-19)12-26(33)56-30-16-24(42(53)54)18-32(36(30)46)58-28-14-22(40(50)38(48)20-9-5-2-6-10-20)13-27(34(28)44)57-31-17-23(41(51)52)15-29(55-25)35(31)45/h1-18,43-46,49-50H.
What are the key properties of N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide?
N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide has a molecular weight of 856.89 g/mol, XLogP of 9.32, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide is sourced from PubChem (CID 24999390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).