N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide

C32H36N4O5S — CID 14626821

IUPACN-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide
SMILESCCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)NC3CCCC3)ccc21
InChIInChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38)
InChIKeyCVSHLJPCGRTPSS-UHFFFAOYSA-N
MW588.73 g/mol
LogP5.83
Rot. Bonds10

About N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide

N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide (PubChem CID 14626821) has the molecular formula C32H36N4O5S and a molecular weight of 588.73 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide
PubChem CID14626821
Molecular FormulaC32H36N4O5S
Molecular Weight588.73 g/mol
Exact Mass588.24
IUPAC NameN-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide
SMILESCCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)NC3CCCC3)ccc21
InChIInChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38)
InChIKeyCVSHLJPCGRTPSS-UHFFFAOYSA-N
XLogP5.83
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.73
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide (CID 14626821) is N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide is CCCn1cc(Cc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2OC)c2cc(NC(=O)NC3CCCC3)ccc21.
What is the InChIKey of N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide?
The InChIKey is CVSHLJPCGRTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O5S/c1-3-17-36-21-24(28-20-26(15-16-29(28)36)34-32(38)33-25-9-7-8-10-25)18-22-13-14-23(19-30(22)41-2)31(37)35-42(39,40)27-11-5-4-6-12-27/h4-6,11-16,19-21,25H,3,7-10,17-18H2,1-2H3,(H,35,37)(H2,33,34,38).
What are the key properties of N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide?
N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide has a molecular weight of 588.73 g/mol, XLogP of 5.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[[5-(cyclopentylcarbamoylamino)-1-propylindol-3-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 14626821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).