ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate

C16H19NO2S — CID 19819826

IUPACethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)c1sccc1C
InChIInChI=1S/C16H19NO2S/c1-3-19-16(18)17-14(15-12(2)9-10-20-15)11-13-7-5-4-6-8-13/h4-10,14H,3,11H2,1-2H3,(H,17,18)
InChIKeyHJSYWTHXNCVZBE-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.09
Rot. Bonds5

About ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate

ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate (PubChem CID 19819826) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate
PubChem CID19819826
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Nameethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)c1sccc1C
InChIInChI=1S/C16H19NO2S/c1-3-19-16(18)17-14(15-12(2)9-10-20-15)11-13-7-5-4-6-8-13/h4-10,14H,3,11H2,1-2H3,(H,17,18)
InChIKeyHJSYWTHXNCVZBE-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, ethyl ester
CID 3058243
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
{(S)-1-Benzyl-2-oxo-2-[(thiophen-2-ylmethyl)-carbamoyl]-ethyl}-carbamic acid 1-isopropyl-2-methyl-propyl ester
CID 11270375
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
N-(1-phenylpropyl)-2-(2-thienyl)acetamide
CID 6470744
Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, butyl ester
CID 3058245
N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3792423
2-Thenylamine, N-(alpha-methylphenethyl)-, acetate, (+)-
CID 121570
Acetamide, N-(2-phenyl-1-(2-thienyl)ethyl)-
CID 3061995
1-Butyl-3-[(4-fluorophenyl)-thiophen-2-ylmethyl]urea
CID 45846599
N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
CID 56793655
N-ethyl-N'-[1-(3-methylthiophen-2-yl)-2-phenylethyl]butanediamide
CID 72008466

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate?
The IUPAC name of ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate (CID 19819826) is ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate?
The canonical SMILES for ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate is CCOC(=O)NC(Cc1ccccc1)c1sccc1C.
What is the InChIKey of ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate?
The InChIKey is HJSYWTHXNCVZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-19-16(18)17-14(15-12(2)9-10-20-15)11-13-7-5-4-6-8-13/h4-10,14H,3,11H2,1-2H3,(H,17,18).
What are the key properties of ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate?
ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate has a molecular weight of 289.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 19819826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).