(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide

C19H23N5O2S — CID 97445577

IUPAC(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide
SMILESCN(C)c1cc2c(cc1NC(=O)N1CC[C@H]1c1cccs1)n(C)c(=O)n2C
InChIInChI=1S/C19H23N5O2S/c1-21(2)14-11-16-15(22(3)19(26)23(16)4)10-12(14)20-18(25)24-8-7-13(24)17-6-5-9-27-17/h5-6,9-11,13H,7-8H2,1-4H3,(H,20,25)/t13-/m0/s1
InChIKeyGQXFKIDJDHILQB-ZDUSSCGKSA-N
MW385.49 g/mol
LogP2.98
Rot. Bonds3

About (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide

(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide (PubChem CID 97445577) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide
PubChem CID97445577
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide
SMILESCN(C)c1cc2c(cc1NC(=O)N1CC[C@H]1c1cccs1)n(C)c(=O)n2C
InChIInChI=1S/C19H23N5O2S/c1-21(2)14-11-16-15(22(3)19(26)23(16)4)10-12(14)20-18(25)24-8-7-13(24)17-6-5-9-27-17/h5-6,9-11,13H,7-8H2,1-4H3,(H,20,25)/t13-/m0/s1
InChIKeyGQXFKIDJDHILQB-ZDUSSCGKSA-N
XLogP2.98
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503100
methyl 6-[[(2R)-2-thiophen-2-ylazetidine-1-carbonyl]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 125167780
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
1-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-(thiolan-3-yl)urea
CID 72913286
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 124608734
N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586894
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide?
The IUPAC name of (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide (CID 97445577) is (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide?
The canonical SMILES for (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide is CN(C)c1cc2c(cc1NC(=O)N1CC[C@H]1c1cccs1)n(C)c(=O)n2C.
What is the InChIKey of (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide?
The InChIKey is GQXFKIDJDHILQB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-21(2)14-11-16-15(22(3)19(26)23(16)4)10-12(14)20-18(25)24-8-7-13(24)17-6-5-9-27-17/h5-6,9-11,13H,7-8H2,1-4H3,(H,20,25)/t13-/m0/s1.
What are the key properties of (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide?
(2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-thiophen-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 97445577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).