[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate

C15H14N2O4S — CID 7996489

IUPAC[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C15H14N2O4S/c1-9(18)21-8-10-2-4-11(5-3-10)14(20)17-15-12(13(16)19)6-7-22-15/h2-7H,8H2,1H3,(H2,16,19)(H,17,20)
InChIKeyRRDFJXXJMUUIEW-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.16
Rot. Bonds5

About [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate

[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate (PubChem CID 7996489) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
PubChem CID7996489
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C15H14N2O4S/c1-9(18)21-8-10-2-4-11(5-3-10)14(20)17-15-12(13(16)19)6-7-22-15/h2-7H,8H2,1H3,(H2,16,19)(H,17,20)
InChIKeyRRDFJXXJMUUIEW-UHFFFAOYSA-N
XLogP2.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide
CID 4787365
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
methyl (2R)-2-[[4-(acetyloxymethyl)benzoyl]amino]propanoate
CID 7996479
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 61347220
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-[[(2S)-2-aminobutanoyl]amino]thiophene-3-carboxamide
CID 79023007
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 3557766
2-[[4-[2-(3-aminopropanoylamino)-6-methylphenyl]benzoyl]amino]thiophene-3-carboxamide
CID 175459454
2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7164097

Frequently Asked Questions

What is the IUPAC name of [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate?
The IUPAC name of [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate (CID 7996489) is [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate.
What is the SMILES notation for [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate?
The canonical SMILES for [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate is CC(=O)OCc1ccc(C(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate?
The InChIKey is RRDFJXXJMUUIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9(18)21-8-10-2-4-11(5-3-10)14(20)17-15-12(13(16)19)6-7-22-15/h2-7H,8H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate?
[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate has a molecular weight of 318.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate is sourced from PubChem (CID 7996489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).