1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C18H18N2O4S — CID 167798006

IUPAC1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC(=O)c1ccsc1NC(=O)CC1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C18H18N2O4S/c19-15(22)12-7-9-25-16(12)20-14(21)10-18(17(23)24)8-3-5-11-4-1-2-6-13(11)18/h1-2,4,6-7,9H,3,5,8,10H2,(H2,19,22)(H,20,21)(H,23,24)
InChIKeyNIBZUPKWPIJIAD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 167798006) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID167798006
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESNC(=O)c1ccsc1NC(=O)CC1(C(=O)O)CCCc2ccccc21
InChIInChI=1S/C18H18N2O4S/c19-15(22)12-7-9-25-16(12)20-14(21)10-18(17(23)24)8-3-5-11-4-1-2-6-13(11)18/h1-2,4,6-7,9H,3,5,8,10H2,(H2,19,22)(H,20,21)(H,23,24)
InChIKeyNIBZUPKWPIJIAD-UHFFFAOYSA-N
XLogP2.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid with MolForge

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9117109
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]thiophene-3-carboxamide
CID 8897472
2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9117112
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
1-(cyclopentylmethyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 62740447
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
1-(2-hydroxypropyl)-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79425052
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 167798006) is 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is NC(=O)c1ccsc1NC(=O)CC1(C(=O)O)CCCc2ccccc21.
What is the InChIKey of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is NIBZUPKWPIJIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c19-15(22)12-7-9-25-16(12)20-14(21)10-18(17(23)24)8-3-5-11-4-1-2-6-13(11)18/h1-2,4,6-7,9H,3,5,8,10H2,(H2,19,22)(H,20,21)(H,23,24).
What are the key properties of 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 167798006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).