N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate

C17H18NO4S- — CID 146162056

IUPACN-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate
SMILESCCCc1ccccc1N(C(=O)[O-])S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-3-6-14-7-4-5-8-16(14)18(17(19)20)23(21,22)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3,(H,19,20)/p-1
InChIKeyWQGWSIRROOGFOR-UHFFFAOYSA-M
MW332.40 g/mol
LogP2.49
Rot. Bonds5

About N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate

N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate (PubChem CID 146162056) has the molecular formula C17H18NO4S- and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate
PubChem CID146162056
Molecular FormulaC17H18NO4S-
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate
SMILESCCCc1ccccc1N(C(=O)[O-])S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-3-6-14-7-4-5-8-16(14)18(17(19)20)23(21,22)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3,(H,19,20)/p-1
InChIKeyWQGWSIRROOGFOR-UHFFFAOYSA-M
XLogP2.49
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
CID 102356550
[2-[butanoyl-(4-methylphenyl)sulfonylamino]phenyl] butanoate
CID 7731199
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(2,3-dimethylphenyl)-3,3-dimethyl-N-(4-methylphenyl)sulfonylbutanamide
CID 19219319
N-(4-butylphenyl)-2-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 19210939
N-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 19210991
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
N-(benzenesulfonyl)-N-(4-methylphenyl)-2-(2-phenylethyl)benzamide
CID 19210199
2-(2,6-dimethylphenoxy)-N-(2,3-dimethylphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217830
N-(4-butylphenyl)-2-chloro-N-(4-methylphenyl)sulfonylbenzamide
CID 19210695

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate (CID 146162056) is N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate is CCCc1ccccc1N(C(=O)[O-])S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate?
The InChIKey is WQGWSIRROOGFOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19NO4S/c1-3-6-14-7-4-5-8-16(14)18(17(19)20)23(21,22)15-11-9-13(2)10-12-15/h4-5,7-12H,3,6H2,1-2H3,(H,19,20)/p-1.
What are the key properties of N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate?
N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate has a molecular weight of 332.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N-(2-propylphenyl)carbamate is sourced from PubChem (CID 146162056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).