N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide

C16H17ClN2OS — CID 82687102

IUPACN-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCCc3sc(Cl)cc32)cc1
InChIInChI=1S/C16H17ClN2OS/c1-10(20)18-11-5-7-12(8-6-11)19-14-3-2-4-15-13(14)9-16(17)21-15/h5-9,14,19H,2-4H2,1H3,(H,18,20)
InChIKeyLKUMUXRIUWIGIJ-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.85
Rot. Bonds3

About N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide

N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide (PubChem CID 82687102) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
PubChem CID82687102
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC NameN-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCCc3sc(Cl)cc32)cc1
InChIInChI=1S/C16H17ClN2OS/c1-10(20)18-11-5-7-12(8-6-11)19-14-3-2-4-15-13(14)9-16(17)21-15/h5-9,14,19H,2-4H2,1H3,(H,18,20)
InChIKeyLKUMUXRIUWIGIJ-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide (CID 82687102) is N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CCCc3sc(Cl)cc32)cc1.
What is the InChIKey of N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide?
The InChIKey is LKUMUXRIUWIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10(20)18-11-5-7-12(8-6-11)19-14-3-2-4-15-13(14)9-16(17)21-15/h5-9,14,19H,2-4H2,1H3,(H,18,20).
What are the key properties of N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide?
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide has a molecular weight of 320.85 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 82687102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).