(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

C18H23N3O3S — CID 92723149

IUPAC(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESC[C@H](C(=O)NC1CC1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C18H23N3O3S/c1-13(18(22)19-15-4-5-15)21-11-8-14-12-16(6-7-17(14)21)25(23,24)20-9-2-3-10-20/h6-8,11-13,15H,2-5,9-10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyPUUNIWZOWXBIAC-CYBMUJFWSA-N
MW361.47 g/mol
LogP2.27
Rot. Bonds5

About (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide

(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (PubChem CID 92723149) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
PubChem CID92723149
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
SMILESC[C@H](C(=O)NC1CC1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C18H23N3O3S/c1-13(18(22)19-15-4-5-15)21-11-8-14-12-16(6-7-17(14)21)25(23,24)20-9-2-3-10-20/h6-8,11-13,15H,2-5,9-10H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyPUUNIWZOWXBIAC-CYBMUJFWSA-N
XLogP2.27
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723142
(2R)-1-piperidin-1-yl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propan-1-one
CID 92723143
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20919077
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-cyclopropylacetamide
CID 20918962
N-cyclohexyl-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 46278693
N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 20919093
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 20919118
(3S)-N-cycloheptyl-1-(1-methylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92712238
(2S)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706434
(2R)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706435
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377094

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide (CID 92723149) is (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is C[C@H](C(=O)NC1CC1)n1ccc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
The InChIKey is PUUNIWZOWXBIAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(18(22)19-15-4-5-15)21-11-8-14-12-16(6-7-17(14)21)25(23,24)20-9-2-3-10-20/h6-8,11-13,15H,2-5,9-10H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide?
(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide is sourced from PubChem (CID 92723149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).