1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide

C18H18N4O3S — CID 146501012

IUPAC1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)nc3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-3-5-17(6-4-13)26(24,25)22-8-7-16(12-22)18(23)21-11-15-9-19-14(2)20-10-15/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyCPMPWOOABWDOTI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.06
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide (PubChem CID 146501012) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
PubChem CID146501012
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)nc3)c2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-3-5-17(6-4-13)26(24,25)22-8-7-16(12-22)18(23)21-11-15-9-19-14(2)20-10-15/h3-10,12H,11H2,1-2H3,(H,21,23)
InChIKeyCPMPWOOABWDOTI-UHFFFAOYSA-N
XLogP2.06
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 146501073
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 146501048
1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501067
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide
CID 146501032
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide;hydrochloride
CID 120946680
N-[(2R)-1-methoxypropan-2-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 95305472
2-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119199273
1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176545

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide (CID 146501012) is 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide is Cc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnc(C)nc3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is CPMPWOOABWDOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-3-5-17(6-4-13)26(24,25)22-8-7-16(12-22)18(23)21-11-15-9-19-14(2)20-10-15/h3-10,12H,11H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146501012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).