1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide

C30H27N3O4S — CID 127038731

IUPAC1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide
SMILESCN(CCN(C)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H27N3O4S/c1-31(29(34)24-17-16-22-10-6-7-11-23(22)20-24)18-19-32(2)30(35)27-21-33(28-15-9-8-14-26(27)28)38(36,37)25-12-4-3-5-13-25/h3-17,20-21H,18-19H2,1-2H3
InChIKeyUBPBISCOTKRJFK-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.88
Rot. Bonds7

About 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide

1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide (PubChem CID 127038731) has the molecular formula C30H27N3O4S and a molecular weight of 525.63 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide
PubChem CID127038731
Molecular FormulaC30H27N3O4S
Molecular Weight525.63 g/mol
Exact Mass525.17
IUPAC Name1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide
SMILESCN(CCN(C)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H27N3O4S/c1-31(29(34)24-17-16-22-10-6-7-11-23(22)20-24)18-19-32(2)30(35)27-21-33(28-15-9-8-14-26(27)28)38(36,37)25-12-4-3-5-13-25/h3-17,20-21H,18-19H2,1-2H3
InChIKeyUBPBISCOTKRJFK-UHFFFAOYSA-N
XLogP4.88
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44466638
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CID 45266978
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CID 11461586
CID 11461586
CID 507844
CID 507844
CID 45267006
CID 45267006
CID 114286451
CID 114286451
CID 11646928
CID 11646928
CID 848535
CID 848535
CID 1192821
CID 1192821
CID 44441606
CID 44441606

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide (CID 127038731) is 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide is CN(CCN(C)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide?
The InChIKey is UBPBISCOTKRJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4S/c1-31(29(34)24-17-16-22-10-6-7-11-23(22)20-24)18-19-32(2)30(35)27-21-33(28-15-9-8-14-26(27)28)38(36,37)25-12-4-3-5-13-25/h3-17,20-21H,18-19H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide?
1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-methyl-N-[2-[methyl(naphthalene-2-carbonyl)amino]ethyl]indole-3-carboxamide is sourced from PubChem (CID 127038731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).