N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

C21H29N3O3S — CID 46278693

IUPACN-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESO=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1
InChIInChI=1S/C21H29N3O3S/c25-21(22-18-6-2-1-3-7-18)11-15-23-14-10-17-16-19(8-9-20(17)23)28(26,27)24-12-4-5-13-24/h8-10,14,16,18H,1-7,11-13,15H2,(H,22,25)
InChIKeyQTLOVCKCWLRKJP-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.26
Rot. Bonds6

About N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 46278693) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID46278693
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESO=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1
InChIInChI=1S/C21H29N3O3S/c25-21(22-18-6-2-1-3-7-18)11-15-23-14-10-17-16-19(8-9-20(17)23)28(26,27)24-12-4-5-13-24/h8-10,14,16,18H,1-7,11-13,15H2,(H,22,25)
InChIKeyQTLOVCKCWLRKJP-UHFFFAOYSA-N
XLogP3.26
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
N-[(1S,2R)-2-methylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92505046
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92691366
3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92691365
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[5-(4-methylpiperidin-1-yl)sulfonylindol-1-yl]propanamide
CID 92691357
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46278529
N-[(4-methoxyphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 24789970
N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 53064104
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
N-cycloheptyl-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077600
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46278542
(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712238

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (CID 46278693) is N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is O=C(CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is QTLOVCKCWLRKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c25-21(22-18-6-2-1-3-7-18)11-15-23-14-10-17-16-19(8-9-20(17)23)28(26,27)24-12-4-5-13-24/h8-10,14,16,18H,1-7,11-13,15H2,(H,22,25).
What are the key properties of N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 403.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 46278693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).