[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate

C16H18N2O2S — CID 134513469

IUPAC[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCc2ccc(NS)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-2-12-3-7-14(8-4-12)17-16(19)20-11-13-5-9-15(18-21)10-6-13/h3-10,18,21H,2,11H2,1H3,(H,17,19)
InChIKeyPIIWPSJVGQJZMO-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.25
Rot. Bonds5

About [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate

[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate (PubChem CID 134513469) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate.

Molecular Properties

Compound Name[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
PubChem CID134513469
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate
SMILESCCc1ccc(NC(=O)OCc2ccc(NS)cc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-2-12-3-7-14(8-4-12)17-16(19)20-11-13-5-9-15(18-21)10-6-13/h3-10,18,21H,2,11H2,1H3,(H,17,19)
InChIKeyPIIWPSJVGQJZMO-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
2-acetamidoethyl N-(4-ethylphenyl)carbamate
CID 59778470
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
2-[(4-ethylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 155719005
(1-methylpyridin-1-ium-4-yl)methyl N-(4-chlorophenyl)carbamate iodide
CID 163342725
[4-[[4-(methylamino)phenyl]methoxycarbonylamino]phenyl]methyl formate
CID 130458380
(4-ethylphenyl)methyl N-(propan-2-ylamino)carbamate
CID 159970394
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000

Frequently Asked Questions

What is the IUPAC name of [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate?
The IUPAC name of [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate (CID 134513469) is [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate.
What is the SMILES notation for [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate?
The canonical SMILES for [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate is CCc1ccc(NC(=O)OCc2ccc(NS)cc2)cc1.
What is the InChIKey of [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate?
The InChIKey is PIIWPSJVGQJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-12-3-7-14(8-4-12)17-16(19)20-11-13-5-9-15(18-21)10-6-13/h3-10,18,21H,2,11H2,1H3,(H,17,19).
What are the key properties of [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate?
[4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate has a molecular weight of 302.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(sulfanylamino)phenyl]methyl N-(4-ethylphenyl)carbamate is sourced from PubChem (CID 134513469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).