1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide

C17H18N4O4S — CID 146501058

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnn(C)c3)c2)cc1
InChIInChI=1S/C17H18N4O4S/c1-20-11-13(10-19-20)9-18-17(22)14-7-8-21(12-14)26(23,24)16-5-3-15(25-2)4-6-16/h3-8,10-12H,9H2,1-2H3,(H,18,22)
InChIKeyXZTBGFCKMYMNLE-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.40
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide (PubChem CID 146501058) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
PubChem CID146501058
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnn(C)c3)c2)cc1
InChIInChI=1S/C17H18N4O4S/c1-20-11-13(10-19-20)9-18-17(22)14-7-8-21(12-14)26(23,24)16-5-3-15(25-2)4-6-16/h3-8,10-12H,9H2,1-2H3,(H,18,22)
InChIKeyXZTBGFCKMYMNLE-UHFFFAOYSA-N
XLogP1.40
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501067
1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
4-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 122561579
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
3-[(6-methoxy-3-pyridinyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 166888194
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 146501054

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide (CID 146501058) is 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide is COc1ccc(S(=O)(=O)n2ccc(C(=O)NCc3cnn(C)c3)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is XZTBGFCKMYMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-20-11-13(10-19-20)9-18-17(22)14-7-8-21(12-14)26(23,24)16-5-3-15(25-2)4-6-16/h3-8,10-12H,9H2,1-2H3,(H,18,22).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146501058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).