N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

C25H31N3O3S — CID 92691371

IUPACN-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C25H31N3O3S/c1-20(9-10-21-7-3-2-4-8-21)26-25(29)14-18-27-17-13-22-19-23(11-12-24(22)27)32(30,31)28-15-5-6-16-28/h2-4,7-8,11-13,17,19-20H,5-6,9-10,14-16,18H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyNQKUFFKWEFRUJB-HXUWFJFHSA-N
MW453.61 g/mol
LogP3.95
Rot. Bonds9

About N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 92691371) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID92691371
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C25H31N3O3S/c1-20(9-10-21-7-3-2-4-8-21)26-25(29)14-18-27-17-13-22-19-23(11-12-24(22)27)32(30,31)28-15-5-6-16-28/h2-4,7-8,11-13,17,19-20H,5-6,9-10,14-16,18H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyNQKUFFKWEFRUJB-HXUWFJFHSA-N
XLogP3.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 46278529
3-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 46278542
N-[(4-methoxyphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 24789970
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-[(1S,2R)-2-methylcyclohexyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92505046
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882561
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
2-(5-piperidin-1-ylsulfonylindol-1-yl)acetic acid
CID 20888287
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (CID 92691371) is N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is C[C@H](CCc1ccccc1)NC(=O)CCn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is NQKUFFKWEFRUJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-20(9-10-21-7-3-2-4-8-21)26-25(29)14-18-27-17-13-22-19-23(11-12-24(22)27)32(30,31)28-15-5-6-16-28/h2-4,7-8,11-13,17,19-20H,5-6,9-10,14-16,18H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 453.61 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 92691371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).