4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide

C16H16ClN3O2S — CID 71995290

IUPAC4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C16H16ClN3O2S/c1-19(9-11-4-7-23-10-11)15(21)12-2-3-13(17)14(8-12)20-6-5-18-16(20)22/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,22)
InChIKeyZWISUAJKDMQPSB-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide

4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 71995290) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide
PubChem CID71995290
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C16H16ClN3O2S/c1-19(9-11-4-7-23-10-11)15(21)12-2-3-13(17)14(8-12)20-6-5-18-16(20)22/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,22)
InChIKeyZWISUAJKDMQPSB-UHFFFAOYSA-N
XLogP3.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71939923
N,4-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 70764622
5,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 43396646
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813
5-chloro-N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31791583
2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-N-(thiophen-3-ylmethyl)benzamide
CID 18127125
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide (CID 71995290) is 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is ZWISUAJKDMQPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-19(9-11-4-7-23-10-11)15(21)12-2-3-13(17)14(8-12)20-6-5-18-16(20)22/h2-4,7-8,10H,5-6,9H2,1H3,(H,18,22).
What are the key properties of 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide?
4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 349.84 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 71995290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).