N-benzyl-3-chloro-1-benzothiophene-2-carboxamide

C16H12ClNOS — CID 675718

IUPACN-benzyl-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H12ClNOS/c17-14-12-8-4-5-9-13(12)20-15(14)16(19)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyHAQNRGLIVANIPI-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.48
Rot. Bonds3

About N-benzyl-3-chloro-1-benzothiophene-2-carboxamide

N-benzyl-3-chloro-1-benzothiophene-2-carboxamide (PubChem CID 675718) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is N-benzyl-3-chloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-1-benzothiophene-2-carboxamide
PubChem CID675718
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC NameN-benzyl-3-chloro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1sc2ccccc2c1Cl
InChIInChI=1S/C16H12ClNOS/c17-14-12-8-4-5-9-13(12)20-15(14)16(19)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)
InChIKeyHAQNRGLIVANIPI-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
N-benzyl-3-propan-2-yloxy-1-benzothiophene-2-carboxamide
CID 57050332
3-chloro-N-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9303925
3-chloro-N-[(3-pyridin-3-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 70919645
(2S)-4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107833904
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 19330972
3-chloro-N-[(3R)-3-hydroxy-3-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 95740862
3-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 27335326

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-chloro-1-benzothiophene-2-carboxamide (CID 675718) is N-benzyl-3-chloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-chloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-chloro-1-benzothiophene-2-carboxamide is O=C(NCc1ccccc1)c1sc2ccccc2c1Cl.
What is the InChIKey of N-benzyl-3-chloro-1-benzothiophene-2-carboxamide?
The InChIKey is HAQNRGLIVANIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-14-12-8-4-5-9-13(12)20-15(14)16(19)18-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19).
What are the key properties of N-benzyl-3-chloro-1-benzothiophene-2-carboxamide?
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide has a molecular weight of 301.80 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 675718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).