N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide

C18H18F2N4O3S — CID 100940849

IUPACN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(N(C)C(=O)c3cccc(F)c3F)cc21
InChIInChI=1S/C18H18F2N4O3S/c1-10(2)28(26,27)24-15-9-11(7-8-14(15)22-18(24)21)23(3)17(25)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H2,21,22)
InChIKeyORYHWBFCFBEZAC-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.76
Rot. Bonds4

About N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide

N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide (PubChem CID 100940849) has the molecular formula C18H18F2N4O3S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide
PubChem CID100940849
Molecular FormulaC18H18F2N4O3S
Molecular Weight408.43 g/mol
Exact Mass408.11
IUPAC NameN-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(N(C)C(=O)c3cccc(F)c3F)cc21
InChIInChI=1S/C18H18F2N4O3S/c1-10(2)28(26,27)24-15-9-11(7-8-14(15)22-18(24)21)23(3)17(25)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H2,21,22)
InChIKeyORYHWBFCFBEZAC-UHFFFAOYSA-N
XLogP2.76
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide 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

N-[2-benzamido-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-N-methylbenzamide
CID 25190503
N-(1-tert-butylbenzimidazol-5-yl)benzamide
CID 711834
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-3-methylbenzamide
CID 842447
N-(1-ethyl-1H-benzimidazol-5-yl)-4-methylbenzamide
CID 975960
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide
CID 1252284
4-methyl-N-(1-methylbenzimidazol-5-yl)benzamide
CID 879820
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
CID 3000022
(4-fluorophenyl){4-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)methyl]piperazin-1-yl}methanone
CID 4891630
N-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-2-fluoro-benzamide
CID 24744425
N-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-2,6-difluoro-benzamide
CID 24744426
N-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-2-chloro-benzamide
CID 24744591
N-(1-(3-amino-3-oxopropyl)-5-(N-methylcyclohexanecarboxamido)-1H-benzo[d]imidazol-2-yl)benzamide
CID 44588741

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
The IUPAC name of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide (CID 100940849) is N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide is CC(C)S(=O)(=O)n1c(N)nc2ccc(N(C)C(=O)c3cccc(F)c3F)cc21.
What is the InChIKey of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
The InChIKey is ORYHWBFCFBEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3S/c1-10(2)28(26,27)24-15-9-11(7-8-14(15)22-18(24)21)23(3)17(25)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H2,21,22).
What are the key properties of N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide?
N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide has a molecular weight of 408.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 100940849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).