2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide

C16H18N2O3S — CID 154844991

IUPAC2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccsc2OC)c1
InChIInChI=1S/C16H18N2O3S/c1-3-8-17-14(19)11-5-4-6-12(10-11)18-15(20)13-7-9-22-16(13)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAIIOPPVRLFINSK-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.15
Rot. Bonds6

About 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide

2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 154844991) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID154844991
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2ccsc2OC)c1
InChIInChI=1S/C16H18N2O3S/c1-3-8-17-14(19)11-5-4-6-12(10-11)18-15(20)13-7-9-22-16(13)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyAIIOPPVRLFINSK-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63048189
5-(methoxymethyl)-N-[3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 78878517
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 154844991) is 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2ccsc2OC)c1.
What is the InChIKey of 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is AIIOPPVRLFINSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-8-17-14(19)11-5-4-6-12(10-11)18-15(20)13-7-9-22-16(13)21-2/h4-7,9-10H,3,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide?
2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(propylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 154844991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).