N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide

C17H17NO2S — CID 162396872

IUPACN-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)N=S(=O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C17H17NO2S/c1-13-7-9-14(10-8-13)17(19)18-21(20,16-11-12-16)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyQQVHEFAUIVUILC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.82
Rot. Bonds3

About N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide

N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide (PubChem CID 162396872) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide
PubChem CID162396872
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)N=S(=O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C17H17NO2S/c1-13-7-9-14(10-8-13)17(19)18-21(20,16-11-12-16)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyQQVHEFAUIVUILC-UHFFFAOYSA-N
XLogP3.82
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
4-methyl-N-[(4-methylphenyl)-oxo-piperidin-1-yl-λ6-sulfanylidene]benzamide
CID 132943058
4-bromo-N-[oxo(diphenyl)-λ6-sulfanylidene]benzamide
CID 154707235
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 110661953
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783
N-[butylamino-(4-methylphenyl)-oxo-λ6-sulfanylidene]benzamide
CID 135011515
[(E)-N-(benzenesulfonyl)-C-(4-methylphenyl)carbonimidoyl] 4-methylbenzoate
CID 6125087
N-(iodo-methyl-oxo-λ6-sulfanylidene)benzamide
CID 167050073
cyclopentyl-[2-[(cyclopentyl-oxo-phenyl-λ6-sulfanylidene)amino]ethylimino]-oxo-phenyl-λ6-sulfane
CID 25037615
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide?
The IUPAC name of N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide (CID 162396872) is N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide.
What is the SMILES notation for N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide?
The canonical SMILES for N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide is Cc1ccc(C(=O)N=S(=O)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide?
The InChIKey is QQVHEFAUIVUILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13-7-9-14(10-8-13)17(19)18-21(20,16-11-12-16)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3.
What are the key properties of N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide?
N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide has a molecular weight of 299.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropyl-oxo-phenyl-λ6-sulfanylidene)-4-methylbenzamide is sourced from PubChem (CID 162396872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).