N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide

C19H25N3O2S — CID 55741692

IUPACN-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C19H25N3O2S/c1-5-20-18(23)14-9-8-13(4)15(11-14)21-19(24)22-17(12(2)3)16-7-6-10-25-16/h6-12,17H,5H2,1-4H3,(H,20,23)(H2,21,22,24)
InChIKeyUCTAXFRLELWJEQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.33
Rot. Bonds6

About N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide

N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide (PubChem CID 55741692) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide
PubChem CID55741692
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C19H25N3O2S/c1-5-20-18(23)14-9-8-13(4)15(11-14)21-19(24)22-17(12(2)3)16-7-6-10-25-16/h6-12,17H,5H2,1-4H3,(H,20,23)(H2,21,22,24)
InChIKeyUCTAXFRLELWJEQ-UHFFFAOYSA-N
XLogP4.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
CID 43787656
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
1-(5-chloro-2-methylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 17181621
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
2-(aminomethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 65225067
2-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]butanediamide
CID 60849802
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-ethyl-4-methylbenzamide
CID 119284377
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide?
The IUPAC name of N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide (CID 55741692) is N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide is CCNC(=O)c1ccc(C)c(NC(=O)NC(c2cccs2)C(C)C)c1.
What is the InChIKey of N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide?
The InChIKey is UCTAXFRLELWJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-5-20-18(23)14-9-8-13(4)15(11-14)21-19(24)22-17(12(2)3)16-7-6-10-25-16/h6-12,17H,5H2,1-4H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide?
N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide has a molecular weight of 359.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]benzamide is sourced from PubChem (CID 55741692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).