4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid

C19H16N2O4S — CID 135390420

IUPAC4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid
SMILESNC(=O)c1ccsc1NC(=O)CC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C19H16N2O4S/c20-17(23)14-8-9-26-18(14)21-16(22)10-15(19(24)25)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,15H,10H2,(H2,20,23)(H,21,22)(H,24,25)
InChIKeyQCCGKNXSFXBHOF-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.20
Rot. Bonds6

About 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid

4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid (PubChem CID 135390420) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid
PubChem CID135390420
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid
SMILESNC(=O)c1ccsc1NC(=O)CC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C19H16N2O4S/c20-17(23)14-8-9-26-18(14)21-16(22)10-15(19(24)25)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,15H,10H2,(H2,20,23)(H,21,22)(H,24,25)
InChIKeyQCCGKNXSFXBHOF-UHFFFAOYSA-N
XLogP3.20
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397868
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 41090633
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
(2R)-2-amino-3-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142180
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 8730419
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-[[2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 94812447

Frequently Asked Questions

What is the IUPAC name of 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid?
The IUPAC name of 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid (CID 135390420) is 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid?
The canonical SMILES for 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid is NC(=O)c1ccsc1NC(=O)CC(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid?
The InChIKey is QCCGKNXSFXBHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c20-17(23)14-8-9-26-18(14)21-16(22)10-15(19(24)25)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,15H,10H2,(H2,20,23)(H,21,22)(H,24,25).
What are the key properties of 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid?
4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid has a molecular weight of 368.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carbamoylthiophen-2-yl)amino]-2-naphthalen-1-yl-4-oxobutanoic acid is sourced from PubChem (CID 135390420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).