[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate

C20H17ClN2O2S — CID 3834805

IUPAC[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCc1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2S/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKZNAUUKYSHEGFZ-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.94
Rot. Bonds5

About [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate

[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate (PubChem CID 3834805) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate
PubChem CID3834805
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCc1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O2S/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyKZNAUUKYSHEGFZ-UHFFFAOYSA-N
XLogP5.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-propan-2-ylcarbamate
CID 1476629
methyl N-[2-methyl-4-[(2-phenylsulfanyl-3-pyridinyl)methoxy]phenyl]carbamate
CID 139810963
1-[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]-3-[(2-methoxyphenyl)methyl]thiourea
CID 100563212
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821134
pyridin-2-yl N-(2-methylphenyl)carbamate
CID 5062913
N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859
2-fluoroethyl N-(2-methylphenyl)carbamate
CID 86208928
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
1-[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]-3-(1-phenylethyl)thiourea
CID 133203149
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
The IUPAC name of [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate (CID 3834805) is [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
The canonical SMILES for [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OCc1cccnc1Sc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
The InChIKey is KZNAUUKYSHEGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate has a molecular weight of 384.89 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-(2-methylphenyl)carbamate is sourced from PubChem (CID 3834805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).