methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate

C16H18N2O2S — CID 62841091

IUPACmethyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C16H18N2O2S/c1-20-16(19)18-12-5-2-4-11(10-12)17-14-6-3-7-15-13(14)8-9-21-15/h2,4-5,8-10,14,17H,3,6-7H2,1H3,(H,18,19)
InChIKeyMFFZOVBGQWARQH-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.42
Rot. Bonds3

About methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate

methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate (PubChem CID 62841091) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
PubChem CID62841091
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Namemethyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C16H18N2O2S/c1-20-16(19)18-12-5-2-4-11(10-12)17-14-6-3-7-15-13(14)8-9-21-15/h2,4-5,8-10,14,17H,3,6-7H2,1H3,(H,18,19)
InChIKeyMFFZOVBGQWARQH-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841936
N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
CID 62841074
N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63419222
1-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanone
CID 114468225
N-(3-pyrrol-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445840
N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide
CID 62842115
methyl 2-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62840217
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoic acid
CID 62841761
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971
N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62840323
[3-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]urea
CID 82012746
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate (CID 62841091) is methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate is COC(=O)Nc1cccc(NC2CCCc3sccc32)c1.
What is the InChIKey of methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate?
The InChIKey is MFFZOVBGQWARQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-16(19)18-12-5-2-4-11(10-12)17-14-6-3-7-15-13(14)8-9-21-15/h2,4-5,8-10,14,17H,3,6-7H2,1H3,(H,18,19).
What are the key properties of methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate?
methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate has a molecular weight of 302.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate is sourced from PubChem (CID 62841091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).