1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide

C16H20N2O3S — CID 131919960

IUPAC1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cccn1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-14(17-16(19)15-6-5-11-18(15)2)12-7-9-13(10-8-12)22(3,20)21/h5-11,14H,4H2,1-3H3,(H,17,19)
InChIKeyYXYIXUZKGOTEII-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.31
Rot. Bonds5

About 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide

1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide (PubChem CID 131919960) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
PubChem CID131919960
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide
SMILESCCC(NC(=O)c1cccn1C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O3S/c1-4-14(17-16(19)15-6-5-11-18(15)2)12-7-9-13(10-8-12)22(3,20)21/h5-11,14H,4H2,1-3H3,(H,17,19)
InChIKeyYXYIXUZKGOTEII-UHFFFAOYSA-N
XLogP2.31
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97315397
2,2-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 95706556
3,4-dimethyl-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 133161748
1-[1-(4-methylsulfonylphenyl)propyl]-3-phenylurea
CID 50944728
3-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]furan-2-carboxamide
CID 95192549
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
2-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]-3-nitrobenzamide
CID 99995319
2-[methyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132667426
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide (CID 131919960) is 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide is CCC(NC(=O)c1cccn1C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide?
The InChIKey is YXYIXUZKGOTEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-14(17-16(19)15-6-5-11-18(15)2)12-7-9-13(10-8-12)22(3,20)21/h5-11,14H,4H2,1-3H3,(H,17,19).
What are the key properties of 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide?
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 131919960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).