N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide

C19H23N3O3S — CID 20969483

IUPACN-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCC2)ccc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-21-17(19(23)20-15-7-3-4-8-15)10-11-18(21)26(24,25)22-13-12-14-6-2-5-9-16(14)22/h2,5-6,9-11,15H,3-4,7-8,12-13H2,1H3,(H,20,23)
InChIKeyPJTIBIQEKIGILA-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.45
Rot. Bonds4

About N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide

N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide (PubChem CID 20969483) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
PubChem CID20969483
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCC2)ccc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C19H23N3O3S/c1-21-17(19(23)20-15-7-3-4-8-15)10-11-18(21)26(24,25)22-13-12-14-6-2-5-9-16(14)22/h2,5-6,9-11,15H,3-4,7-8,12-13H2,1H3,(H,20,23)
InChIKeyPJTIBIQEKIGILA-UHFFFAOYSA-N
XLogP2.45
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
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CID 53160533
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2632242
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-cyclohexylacetamide
CID 6491405
[2-(cyclohexylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551475
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 4655934
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 17390889
N-cycloheptyl-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enamide
CID 4648307
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]guanidine
CID 111083217
1-cyclohexyl-2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethylguanidine
CID 110957330

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide (CID 20969483) is N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)NC2CCCC2)ccc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is PJTIBIQEKIGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-21-17(19(23)20-15-7-3-4-8-15)10-11-18(21)26(24,25)22-13-12-14-6-2-5-9-16(14)22/h2,5-6,9-11,15H,3-4,7-8,12-13H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide?
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 20969483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).