1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C21H25N5O3S — CID 56577539

IUPAC1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1nccn1Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1
InChIInChI=1S/C21H25N5O3S/c1-16-22-9-12-25(16)14-17-5-7-18(8-6-17)23-21(27)20-13-19(15-24(20)2)30(28,29)26-10-3-4-11-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,23,27)
InChIKeyCKEXADJFMLDBRY-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.62
Rot. Bonds6

About 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 56577539) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID56577539
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1nccn1Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1
InChIInChI=1S/C21H25N5O3S/c1-16-22-9-12-25(16)14-17-5-7-18(8-6-17)23-21(27)20-13-19(15-24(20)2)30(28,29)26-10-3-4-11-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,23,27)
InChIKeyCKEXADJFMLDBRY-UHFFFAOYSA-N
XLogP2.62
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
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CID 17399030
1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55854247
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
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1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
(3R)-1-[[4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 95249956
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55635201
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483
N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46411016
N-(4-ethylphenyl)-1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087257
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46410219
N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 56577539) is 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cc1nccn1Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1.
What is the InChIKey of 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is CKEXADJFMLDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-16-22-9-12-25(16)14-17-5-7-18(8-6-17)23-21(27)20-13-19(15-24(20)2)30(28,29)26-10-3-4-11-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 56577539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).