N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide

C16H17ClN2OS — CID 62840323

IUPACN-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
SMILESO=C(CNC1CCCc2sccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2OS/c17-11-3-1-4-12(9-11)19-16(20)10-18-14-5-2-6-15-13(14)7-8-21-15/h1,3-4,7-9,14,18H,2,5-6,10H2,(H,19,20)
InChIKeyURGWZABBIKXCPA-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.01
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide

N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide (PubChem CID 62840323) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
PubChem CID62840323
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
SMILESO=C(CNC1CCCc2sccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2OS/c17-11-3-1-4-12(9-11)19-16(20)10-18-14-5-2-6-15-13(14)7-8-21-15/h1,3-4,7-9,14,18H,2,5-6,10H2,(H,19,20)
InChIKeyURGWZABBIKXCPA-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092325
N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62841242
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-(3-methylbutan-2-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62840306
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360
methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
CID 62841091
N-[(3,5-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840612
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
3-methyl-4-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]benzamide
CID 114480273
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethanone
CID 62840325
N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82726082

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide (CID 62840323) is N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide is O=C(CNC1CCCc2sccc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
The InChIKey is URGWZABBIKXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-11-3-1-4-12(9-11)19-16(20)10-18-14-5-2-6-15-13(14)7-8-21-15/h1,3-4,7-9,14,18H,2,5-6,10H2,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide?
N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide has a molecular weight of 320.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide is sourced from PubChem (CID 62840323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).