N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide

C19H20N4O3S — CID 7640667

IUPACN-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C19H20N4O3S/c1-13-8-9-14(12-17(13)23-10-4-5-11-27(23,25)26)18(24)22-19-20-15-6-2-3-7-16(15)21-19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,20,21,22,24)
InChIKeyGQISTXFITVDPKY-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.05
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide

N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide (PubChem CID 7640667) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
PubChem CID7640667
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1N1CCCCS1(=O)=O
InChIInChI=1S/C19H20N4O3S/c1-13-8-9-14(12-17(13)23-10-4-5-11-27(23,25)26)18(24)22-19-20-15-6-2-3-7-16(15)21-19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,20,21,22,24)
InChIKeyGQISTXFITVDPKY-UHFFFAOYSA-N
XLogP3.05
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517052
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 71828383
N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide
CID 122136797
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-(3-nitrophenyl)benzamide
CID 7686360
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide
CID 7517012
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577
[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 7686257
3-(1,1-dioxothiazinan-2-yl)-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 7686230
3-(1,1-dioxothiazinan-2-yl)-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 7686318
4-chloro-N-(5-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516998
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide (CID 7640667) is N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1N1CCCCS1(=O)=O.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
The InChIKey is GQISTXFITVDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-8-9-14(12-17(13)23-10-4-5-11-27(23,25)26)18(24)22-19-20-15-6-2-3-7-16(15)21-19/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,20,21,22,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide?
N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-(1,1-dioxothiazinan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7640667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).