1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide

C18H16F2N4O5S — CID 146501067

IUPAC1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide
SMILESCOc1ncc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(OC(F)F)cc3)c2)cn1
InChIInChI=1S/C18H16F2N4O5S/c1-28-18-22-9-12(10-23-18)8-21-16(25)13-6-7-24(11-13)30(26,27)15-4-2-14(3-5-15)29-17(19)20/h2-7,9-11,17H,8H2,1H3,(H,21,25)
InChIKeyGBNWGVOEEFRKSW-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.06
Rot. Bonds8

About 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide

1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide (PubChem CID 146501067) has the molecular formula C18H16F2N4O5S and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide
PubChem CID146501067
Molecular FormulaC18H16F2N4O5S
Molecular Weight438.41 g/mol
Exact Mass438.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide
SMILESCOc1ncc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(OC(F)F)cc3)c2)cn1
InChIInChI=1S/C18H16F2N4O5S/c1-28-18-22-9-12(10-23-18)8-21-16(25)13-6-7-24(11-13)30(26,27)15-4-2-14(3-5-15)29-17(19)20/h2-7,9-11,17H,8H2,1H3,(H,21,25)
InChIKeyGBNWGVOEEFRKSW-UHFFFAOYSA-N
XLogP2.06
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-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

1-(4-methylphenyl)sulfonyl-N-[(2-methylpyrimidin-5-yl)methyl]pyrrole-3-carboxamide
CID 146501012
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(Z)-3-[(C,N-dimethylcarbonimidoyl)amino]-2-(methylideneamino)prop-2-enyl]pyrrole-3-carboxamide
CID 146553156
4-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290632
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
N-[2-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 120830377
1-(4-methylphenyl)sulfonyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 146501048
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrole-3-carboxamide
CID 146501032
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 134029023
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide (CID 146501067) is 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide is COc1ncc(CNC(=O)c2ccn(S(=O)(=O)c3ccc(OC(F)F)cc3)c2)cn1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is GBNWGVOEEFRKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O5S/c1-28-18-22-9-12(10-23-18)8-21-16(25)13-6-7-24(11-13)30(26,27)15-4-2-14(3-5-15)29-17(19)20/h2-7,9-11,17H,8H2,1H3,(H,21,25).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide?
1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]sulfonyl-N-[(2-methoxypyrimidin-5-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 146501067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).