1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide

C13H17N3O3S2 — CID 94490887

IUPAC1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccs2)n(C)c1
InChIInChI=1S/C13H17N3O3S2/c1-9(12-5-4-6-20-12)15-13(17)11-7-10(8-16(11)3)21(18,19)14-2/h4-9,14H,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyUBKBGCIVIPVLKO-VIFPVBQESA-N
MW327.43 g/mol
LogP1.49
Rot. Bonds5

About 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide

1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide (PubChem CID 94490887) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
PubChem CID94490887
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccs2)n(C)c1
InChIInChI=1S/C13H17N3O3S2/c1-9(12-5-4-6-20-12)15-13(17)11-7-10(8-16(11)3)21(18,19)14-2/h4-9,14H,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyUBKBGCIVIPVLKO-VIFPVBQESA-N
XLogP1.49
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 30063127
(2S,3R)-3-hydroxy-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104965020
1-methyl-4-(methylsulfamoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 103855918
1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 36916717
N,1-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]pyrrole-3-sulfonamide
CID 32925642
1-methyl-4-[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 129415210
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
1-methyl-4-(methylsulfamoyl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrrole-2-carboxamide
CID 94025999
1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide
CID 52521355
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide (CID 94490887) is 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccs2)n(C)c1.
What is the InChIKey of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The InChIKey is UBKBGCIVIPVLKO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9(12-5-4-6-20-12)15-13(17)11-7-10(8-16(11)3)21(18,19)14-2/h4-9,14H,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 94490887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).