1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide

C17H21N3O3S — CID 97340671

IUPAC1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccn1C1CC1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-12(14-6-3-4-7-15(14)19-24(2,22)23)18-17(21)16-8-5-11-20(16)13-9-10-13/h3-8,11-13,19H,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyDSVXNRLCMCKEGI-GFCCVEGCSA-N
MW347.44 g/mol
LogP2.69
Rot. Bonds6

About 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide (PubChem CID 97340671) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide
PubChem CID97340671
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccn1C1CC1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-12(14-6-3-4-7-15(14)19-24(2,22)23)18-17(21)16-8-5-11-20(16)13-9-10-13/h3-8,11-13,19H,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyDSVXNRLCMCKEGI-GFCCVEGCSA-N
XLogP2.69
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60544539
3-N-[1-[2-(methanesulfonamido)phenyl]ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55962948
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 96528827
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55934103
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide;hydrochloride
CID 119732344
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55961284
1-(1-cyclopropylpyrrol-2-yl)-2-methylpropan-1-one
CID 91090923
(2S,5R)-5-(aminomethyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788249

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide (CID 97340671) is 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide is C[C@@H](NC(=O)c1cccn1C1CC1)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide?
The InChIKey is DSVXNRLCMCKEGI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(14-6-3-4-7-15(14)19-24(2,22)23)18-17(21)16-8-5-11-20(16)13-9-10-13/h3-8,11-13,19H,9-10H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 97340671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).