3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide

C17H19ClN2OS — CID 40847564

IUPAC3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-3-4-13(10-15)17(21)19-11-16(14-6-9-22-12-14)20-7-1-2-8-20/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,19,21)/t16-/m0/s1
InChIKeyLXCJTFOPKJNHOV-INIZCTEOSA-N
MW334.87 g/mol
LogP3.97
Rot. Bonds5

About 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide

3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide (PubChem CID 40847564) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
PubChem CID40847564
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccsc1)N1CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2OS/c18-15-5-3-4-13(10-15)17(21)19-11-16(14-6-9-22-12-14)20-7-1-2-8-20/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,19,21)/t16-/m0/s1
InChIKeyLXCJTFOPKJNHOV-INIZCTEOSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiophenecarboxamide,5-chloro-N-[(1R,2S)-2-[[4-[1-(1-pyrrolidinylmethyl)cyclopropyl]benzoyl]amino]cyclopentyl]-
CID 44432538
5-chloro-N-((1R,2S)-2-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 44432539
N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
3-chloro-N-tetrahydro-3-thiophenylbenzamide
CID 2805655
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
Dipeptidyl nitrile inhibitor, 22
CID 44224132
N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide (CID 40847564) is 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide is O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
The InChIKey is LXCJTFOPKJNHOV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c18-15-5-3-4-13(10-15)17(21)19-11-16(14-6-9-22-12-14)20-7-1-2-8-20/h3-6,9-10,12,16H,1-2,7-8,11H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide?
3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide has a molecular weight of 334.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 40847564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).