methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate

C15H14ClNO2S — CID 71421286

IUPACmethyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(Sc2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c1-10-3-6-12(7-4-10)20-14-8-5-11(9-13(14)16)17-15(18)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyKNTYCLDRQNFGCK-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.98
Rot. Bonds3

About methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate

methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate (PubChem CID 71421286) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
PubChem CID71421286
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Namemethyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(Sc2ccc(C)cc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO2S/c1-10-3-6-12(7-4-10)20-14-8-5-11(9-13(14)16)17-15(18)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyKNTYCLDRQNFGCK-UHFFFAOYSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(3-chloro-4-hydroxyphenyl)carbamate
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butane;methyl N-(4-methylphenyl)carbamate
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ethyl N-[3-chloro-4-(iododisulfanyl)phenyl]carbamate
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methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
methyl N-[4-(chlorodisulfanyl)phenyl]carbamate
CID 22301634
[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
CID 63088855
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
methyl 2-chloro-5-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate
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2-(4-acetamidophenyl)sulfanyl-5-methylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate?
The IUPAC name of methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate (CID 71421286) is methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate.
What is the SMILES notation for methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate?
The canonical SMILES for methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate is COC(=O)Nc1ccc(Sc2ccc(C)cc2)c(Cl)c1.
What is the InChIKey of methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate?
The InChIKey is KNTYCLDRQNFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-10-3-6-12(7-4-10)20-14-8-5-11(9-13(14)16)17-15(18)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate?
methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate has a molecular weight of 307.80 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate is sourced from PubChem (CID 71421286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).