N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide

C17H18ClN3O2S — CID 39932630

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H18ClN3O2S/c1-21(10-14-8-9-15(18)24-14)16(22)11-2-4-12(5-3-11)19-17(23)20-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H2,19,20,23)
InChIKeyPZIIUAODANIYAY-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.96
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide (PubChem CID 39932630) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
PubChem CID39932630
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H18ClN3O2S/c1-21(10-14-8-9-15(18)24-14)16(22)11-2-4-12(5-3-11)19-17(23)20-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H2,19,20,23)
InChIKeyPZIIUAODANIYAY-UHFFFAOYSA-N
XLogP3.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 112841545
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide
CID 24655699
4-(cyclopropylcarbamoylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbenzamide
CID 39913342
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
CID 60573055
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide (CID 39932630) is N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide is CN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide?
The InChIKey is PZIIUAODANIYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-21(10-14-8-9-15(18)24-14)16(22)11-2-4-12(5-3-11)19-17(23)20-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H2,19,20,23).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide has a molecular weight of 363.87 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide is sourced from PubChem (CID 39932630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).