(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide

C24H36N2O5S — CID 167117691

IUPAC(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)NC1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12
InChIInChI=1S/C24H36N2O5S/c1-3-17(2)32(28,29)25-21-8-6-14-26-22(21)15-30-19-12-10-18(11-13-19)20-7-4-5-9-23(20)31-16-24(26)27/h4-5,7,9,17-19,21-22,25H,3,6,8,10-16H2,1-2H3/t17-,18?,19?,21?,22?/m1/s1
InChIKeyIAEUQRMWQDWRRX-XPYPBCPKSA-N
MW464.63 g/mol
LogP3.20
Rot. Bonds4

About (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide

(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide (PubChem CID 167117691) has the molecular formula C24H36N2O5S and a molecular weight of 464.63 g/mol. Its IUPAC name is (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide
PubChem CID167117691
Molecular FormulaC24H36N2O5S
Molecular Weight464.63 g/mol
Exact Mass464.23
IUPAC Name(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)NC1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12
InChIInChI=1S/C24H36N2O5S/c1-3-17(2)32(28,29)25-21-8-6-14-26-22(21)15-30-19-12-10-18(11-13-19)20-7-4-5-9-23(20)31-16-24(26)27/h4-5,7,9,17-19,21-22,25H,3,6,8,10-16H2,1-2H3/t17-,18?,19?,21?,22?/m1/s1
InChIKeyIAEUQRMWQDWRRX-XPYPBCPKSA-N
XLogP3.20
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide with MolForge

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Related Compounds

1,1-difluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117543
(2S)-1,1,1-trifluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 167117757
(2R)-1,1,1-trifluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 164799281
1-fluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799240
1-cyclobutyl-N-[(15S)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799309
(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
CID 167145888
2-methoxy-N-[(15S)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]acetamide
CID 171437807
(15S,16R)-15-(2-fluoroanilino)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-10-one
CID 171646547
N-[(15S,16R)-5-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 167145840
2-[[(15S,16R)-15-(fluoromethylsulfonylamino)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-9-yl]methyl-methylamino]-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]ethanesulfonamide
CID 167145847
N-[(16R)-4-chloro-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]propane-2-sulfonamide
CID 167117685
N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117665

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide?
The IUPAC name of (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide (CID 167117691) is (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide.
What is the SMILES notation for (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide?
The canonical SMILES for (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide is CC[C@@H](C)S(=O)(=O)NC1CCCN2C(=O)COc3ccccc3C3CCC(CC3)OCC12.
What is the InChIKey of (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide?
The InChIKey is IAEUQRMWQDWRRX-XPYPBCPKSA-N. The full InChI is InChI=1S/C24H36N2O5S/c1-3-17(2)32(28,29)25-21-8-6-14-26-22(21)15-30-19-12-10-18(11-13-19)20-7-4-5-9-23(20)31-16-24(26)27/h4-5,7,9,17-19,21-22,25H,3,6,8,10-16H2,1-2H3/t17-,18?,19?,21?,22?/m1/s1.
What are the key properties of (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide?
(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide has a molecular weight of 464.63 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide is sourced from PubChem (CID 167117691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).