4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide

C16H21N3O4S — CID 8010937

IUPAC4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1[C@@H](C)O
InChIInChI=1S/C16H21N3O4S/c1-9-14(11(3)20)10(2)19-15(9)16(21)18-8-12-4-6-13(7-5-12)24(17,22)23/h4-7,11,19-20H,8H2,1-3H3,(H,18,21)(H2,17,22,23)/t11-/m1/s1
InChIKeyJMILMKWAAKAMLA-LLVKDONJSA-N
MW351.43 g/mol
LogP1.26
Rot. Bonds5

About 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide

4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 8010937) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID8010937
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1[C@@H](C)O
InChIInChI=1S/C16H21N3O4S/c1-9-14(11(3)20)10(2)19-15(9)16(21)18-8-12-4-6-13(7-5-12)24(17,22)23/h4-7,11,19-20H,8H2,1-3H3,(H,18,21)(H2,17,22,23)/t11-/m1/s1
InChIKeyJMILMKWAAKAMLA-LLVKDONJSA-N
XLogP1.26
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 8010939
4-[(1R)-1-hydroxyethyl]-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7930766
3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 43582486
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 8010937) is 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1[C@@H](C)O.
What is the InChIKey of 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JMILMKWAAKAMLA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-9-14(11(3)20)10(2)19-15(9)16(21)18-8-12-4-6-13(7-5-12)24(17,22)23/h4-7,11,19-20H,8H2,1-3H3,(H,18,21)(H2,17,22,23)/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 8010937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).