2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide

C17H18ClN3O2S — CID 55836455

IUPAC2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide
SMILESCc1ccsc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C17H18ClN3O2S/c1-10-6-7-24-15(10)9-19-17(23)21-12-4-5-14(18)13(8-12)16(22)20-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyZKUSUDORRDUNAW-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.92
Rot. Bonds5

About 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide

2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide (PubChem CID 55836455) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide
PubChem CID55836455
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide
SMILESCc1ccsc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C17H18ClN3O2S/c1-10-6-7-24-15(10)9-19-17(23)21-12-4-5-14(18)13(8-12)16(22)20-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyZKUSUDORRDUNAW-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032336
2-chloro-N-cyclopropyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]benzamide
CID 55836840
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclopropyl-5-[2-[(4-methoxybenzoyl)amino]ethylcarbamoylamino]benzamide
CID 55836968
1-(2-chloro-4-fluorophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032127
1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
2-(aminomethyl)-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119713279
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119713294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide (CID 55836455) is 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide is Cc1ccsc1CNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide?
The InChIKey is ZKUSUDORRDUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-10-6-7-24-15(10)9-19-17(23)21-12-4-5-14(18)13(8-12)16(22)20-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide?
2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide has a molecular weight of 363.87 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 55836455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).