3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide

C14H14ClN3O2S — CID 29214137

IUPAC3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H14ClN3O2S/c1-18(8-11-5-6-12(15)21-11)13(19)9-3-2-4-10(7-9)17-14(16)20/h2-7H,8H2,1H3,(H3,16,17,20)
InChIKeyJBGVOSTWRGEDHM-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.16
Rot. Bonds4

About 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide

3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide (PubChem CID 29214137) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
PubChem CID29214137
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H14ClN3O2S/c1-18(8-11-5-6-12(15)21-11)13(19)9-3-2-4-10(7-9)17-14(16)20/h2-7H,8H2,1H3,(H3,16,17,20)
InChIKeyJBGVOSTWRGEDHM-UHFFFAOYSA-N
XLogP3.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 55698318
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 54906056
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 39735328
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 9228041
N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzamide
CID 61116554
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-3-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 9375200
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide (CID 29214137) is 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
The InChIKey is JBGVOSTWRGEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-18(8-11-5-6-12(15)21-11)13(19)9-3-2-4-10(7-9)17-14(16)20/h2-7H,8H2,1H3,(H3,16,17,20).
What are the key properties of 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide?
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide has a molecular weight of 323.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 29214137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).