ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate

C12H17NO3S — CID 170992735

IUPACethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate
SMILESCCOC(=O)NCCSc1ccc(OC)cc1
InChIInChI=1S/C12H17NO3S/c1-3-16-12(14)13-8-9-17-11-6-4-10(15-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyQXAPNMZBQDWWCU-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.53
Rot. Bonds6

About ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate

ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate (PubChem CID 170992735) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate
PubChem CID170992735
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate
SMILESCCOC(=O)NCCSc1ccc(OC)cc1
InChIInChI=1S/C12H17NO3S/c1-3-16-12(14)13-8-9-17-11-6-4-10(15-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyQXAPNMZBQDWWCU-UHFFFAOYSA-N
XLogP2.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
ethyl 4-(4-methoxyphenyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63034141
(E)-3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]prop-2-enamide
CID 2274721
ethyl N-[3-(4-methoxyphenyl)prop-2-ynyl]carbamate
CID 90549022
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-methoxyphenoxy)propanamide
CID 21173333
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 78811294
ethyl N-[2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]thiophene-3-carbonyl]carbamate
CID 41086519
(4-methoxyphenyl) N-(2-methoxyethyl)carbamate
CID 121219063
(2S)-2-[(4-methoxyphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propylbutanamide
CID 100613168
ethyl N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]carbamate;hydrochloride
CID 19808500

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate?
The IUPAC name of ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate (CID 170992735) is ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate is CCOC(=O)NCCSc1ccc(OC)cc1.
What is the InChIKey of ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate?
The InChIKey is QXAPNMZBQDWWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-16-12(14)13-8-9-17-11-6-4-10(15-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate?
ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate has a molecular weight of 255.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methoxyphenyl)sulfanylethyl]carbamate is sourced from PubChem (CID 170992735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).