4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide

C15H16ClN3O2S — CID 39911710

IUPAC4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H16ClN3O2S/c1-2-19(9-12-7-8-13(16)22-12)14(20)10-3-5-11(6-4-10)18-15(17)21/h3-8H,2,9H2,1H3,(H3,17,18,21)
InChIKeyCQGDGAAWJMEXDS-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.55
Rot. Bonds5

About 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide

4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide (PubChem CID 39911710) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
PubChem CID39911710
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H16ClN3O2S/c1-2-19(9-12-7-8-13(16)22-12)14(20)10-3-5-11(6-4-10)18-15(17)21/h3-8H,2,9H2,1H3,(H3,17,18,21)
InChIKeyCQGDGAAWJMEXDS-UHFFFAOYSA-N
XLogP3.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropanecarbonylamino)-N-ethylbenzamide
CID 24655699
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 61116379
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
CID 61011169
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
The IUPAC name of 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide (CID 39911710) is 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
The InChIKey is CQGDGAAWJMEXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-2-19(9-12-7-8-13(16)22-12)14(20)10-3-5-11(6-4-10)18-15(17)21/h3-8H,2,9H2,1H3,(H3,17,18,21).
What are the key properties of 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide?
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide has a molecular weight of 337.83 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 39911710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).