(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide

C14H20N4O4S — CID 94380917

IUPAC(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H20N4O4S/c1-5-15-13(19)9(2)16-23(21,22)10-6-7-11-12(8-10)18(4)14(20)17(11)3/h6-9,16H,5H2,1-4H3,(H,15,19)/t9-/m1/s1
InChIKeyOKWAJPBWCKTCBC-SECBINFHSA-N
MW340.41 g/mol
LogP-0.32
Rot. Bonds5

About (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide

(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide (PubChem CID 94380917) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
PubChem CID94380917
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H20N4O4S/c1-5-15-13(19)9(2)16-23(21,22)10-6-7-11-12(8-10)18(4)14(20)17(11)3/h6-9,16H,5H2,1-4H3,(H,15,19)/t9-/m1/s1
InChIKeyOKWAJPBWCKTCBC-SECBINFHSA-N
XLogP-0.32
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
2-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 107089933
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
2-[(3-amino-4-nitrophenyl)sulfonylamino]-N-ethylpropanamide
CID 82846047
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310
methyl (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242314
(2S)-N-ethyl-2-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 9190126
N-ethyl-2-[(3-methyl-2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126823529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide (CID 94380917) is (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is OKWAJPBWCKTCBC-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-5-15-13(19)9(2)16-23(21,22)10-6-7-11-12(8-10)18(4)14(20)17(11)3/h6-9,16H,5H2,1-4H3,(H,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide?
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 340.41 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 94380917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).