1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C18H25N3O4S — CID 20956438

IUPAC1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2CC1C(=O)NC(C)C
InChIInChI=1S/C18H25N3O4S/c1-12(2)19-18(23)17-11-14-10-15(6-7-16(14)21(17)13(3)22)26(24,25)20-8-4-5-9-20/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,19,23)
InChIKeyWISMTRKSSYIHDS-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.27
Rot. Bonds4

About 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20956438) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID20956438
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2CC1C(=O)NC(C)C
InChIInChI=1S/C18H25N3O4S/c1-12(2)19-18(23)17-11-14-10-15(6-7-16(14)21(17)13(3)22)26(24,25)20-8-4-5-9-20/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,19,23)
InChIKeyWISMTRKSSYIHDS-UHFFFAOYSA-N
XLogP1.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701218
(2S)-1-acetyl-5-(azepan-1-ylsulfonyl)-N-[(1R)-1-phenylethyl]-2,3-dihydroindole-2-carboxamide
CID 92701215
1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 20888370
(2R)-N-(4-acetamidophenyl)-1-acetyl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710467
1-acetyl-N-(4-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956590
1-acetyl-N-(3-propan-2-yloxypropyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956463
(2S)-1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710579
1-acetyl-N-(2-fluorophenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956540
1-acetyl-N-(3-methylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956591
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956578
1-acetyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956465
1-acetyl-N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956431

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 20956438) is 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCCC3)cc2CC1C(=O)NC(C)C.
What is the InChIKey of 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is WISMTRKSSYIHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-12(2)19-18(23)17-11-14-10-15(6-7-16(14)21(17)13(3)22)26(24,25)20-8-4-5-9-20/h6-7,10,12,17H,4-5,8-9,11H2,1-3H3,(H,19,23).
What are the key properties of 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-propan-2-yl-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).