(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide

C20H25N3O8S2 — CID 10006134

IUPAC(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O8S2/c1-30-15-3-7-17(8-4-15)32(26,27)22-12-11-19(20(24)21-25)23(14-13-22)33(28,29)18-9-5-16(31-2)6-10-18/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyKKVTZTBYJGHGCO-LJQANCHMSA-N
MW499.57 g/mol
LogP0.66
Rot. Bonds7

About (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide

(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide (PubChem CID 10006134) has the molecular formula C20H25N3O8S2 and a molecular weight of 499.57 g/mol. Its IUPAC name is (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide
PubChem CID10006134
Molecular FormulaC20H25N3O8S2
Molecular Weight499.57 g/mol
Exact Mass499.11
IUPAC Name(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O8S2/c1-30-15-3-7-17(8-4-15)32(26,27)22-12-11-19(20(24)21-25)23(14-13-22)33(28,29)18-9-5-16(31-2)6-10-18/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyKKVTZTBYJGHGCO-LJQANCHMSA-N
XLogP0.66
TPSA142.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide?
The IUPAC name of (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide (CID 10006134) is (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide.
What is the SMILES notation for (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide?
The canonical SMILES for (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide is COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)NO)N(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide?
The InChIKey is KKVTZTBYJGHGCO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O8S2/c1-30-15-3-7-17(8-4-15)32(26,27)22-12-11-19(20(24)21-25)23(14-13-22)33(28,29)18-9-5-16(31-2)6-10-18/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide?
(5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-hydroxy-1,4-bis[(4-methoxyphenyl)sulfonyl]-1,4-diazepane-5-carboxamide is sourced from PubChem (CID 10006134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).