N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H21N5O4S — CID 90640067

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C3CCc4nc[nH]c4C3)cc2)c1C
InChIInChI=1S/C19H21N5O4S/c1-11-12(2)23-28-19(11)24-29(26,27)15-6-4-14(5-7-15)22-18(25)13-3-8-16-17(9-13)21-10-20-16/h4-7,10,13,24H,3,8-9H2,1-2H3,(H,20,21)(H,22,25)
InChIKeyDKBJQQDNOPOFAY-UHFFFAOYSA-N
MW415.48 g/mol
LogP2.56
Rot. Bonds5

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640067) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640067
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)C3CCc4nc[nH]c4C3)cc2)c1C
InChIInChI=1S/C19H21N5O4S/c1-11-12(2)23-28-19(11)24-29(26,27)15-6-4-14(5-7-15)22-18(25)13-3-8-16-17(9-13)21-10-20-16/h4-7,10,13,24H,3,8-9H2,1-2H3,(H,20,21)(H,22,25)
InChIKeyDKBJQQDNOPOFAY-UHFFFAOYSA-N
XLogP2.56
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3S,4S)-3-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98299411
(1S,2R,3S,4S)-3-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 100888023
trans-(1R,2R)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 1272859
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785629
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519639
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
1-(1,3-benzodioxole-5-carbonyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]azetidine-3-carboxamide
CID 90512835
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596325
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 659894

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640067) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)C3CCc4nc[nH]c4C3)cc2)c1C.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is DKBJQQDNOPOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-11-12(2)23-28-19(11)24-29(26,27)15-6-4-14(5-7-15)22-18(25)13-3-8-16-17(9-13)21-10-20-16/h4-7,10,13,24H,3,8-9H2,1-2H3,(H,20,21)(H,22,25).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).