(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide

C17H20N4O3S2 — CID 51941434

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)n1cnc2ccccc21
InChIInChI=1S/C17H20N4O3S2/c1-12(21-11-19-14-6-4-5-7-15(14)21)17(22)18-10-13-8-9-16(25-13)26(23,24)20(2)3/h4-9,11-12H,10H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyHZQLEAHAEKELIO-LBPRGKRZSA-N
MW392.51 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide (PubChem CID 51941434) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
PubChem CID51941434
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)n1cnc2ccccc21
InChIInChI=1S/C17H20N4O3S2/c1-12(21-11-19-14-6-4-5-7-15(14)21)17(22)18-10-13-8-9-16(25-13)26(23,24)20(2)3/h4-9,11-12H,10H2,1-3H3,(H,18,22)/t12-/m0/s1
InChIKeyHZQLEAHAEKELIO-LBPRGKRZSA-N
XLogP2.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 129397081
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 71939914
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide (CID 51941434) is (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide is C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide?
The InChIKey is HZQLEAHAEKELIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-12(21-11-19-14-6-4-5-7-15(14)21)17(22)18-10-13-8-9-16(25-13)26(23,24)20(2)3/h4-9,11-12H,10H2,1-3H3,(H,18,22)/t12-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide has a molecular weight of 392.51 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 51941434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).