[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C14H11ClN2O5S — CID 8604149

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O5S/c15-7-1-2-10(18)9(5-7)14(21)22-6-11(19)17-13-8(12(16)20)3-4-23-13/h1-5,18H,6H2,(H2,16,20)(H,17,19)
InChIKeyAFVXMGMFCVSWOT-UHFFFAOYSA-N
MW354.77 g/mol
LogP2.00
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 8604149) has the molecular formula C14H11ClN2O5S and a molecular weight of 354.77 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID8604149
Molecular FormulaC14H11ClN2O5S
Molecular Weight354.77 g/mol
Exact Mass354.01
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClN2O5S/c15-7-1-2-10(18)9(5-7)14(21)22-6-11(19)17-13-8(12(16)20)3-4-23-13/h1-5,18H,6H2,(H2,16,20)(H,17,19)
InChIKeyAFVXMGMFCVSWOT-UHFFFAOYSA-N
XLogP2.00
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 4780391
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2527195
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8850644
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604243
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366056
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 9286346
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561770
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521866
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 9453608

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 8604149) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is NC(=O)c1ccsc1NC(=O)COC(=O)c1cc(Cl)ccc1O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is AFVXMGMFCVSWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5S/c15-7-1-2-10(18)9(5-7)14(21)22-6-11(19)17-13-8(12(16)20)3-4-23-13/h1-5,18H,6H2,(H2,16,20)(H,17,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 354.77 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 8604149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).