2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid

C14H14N2O3S — CID 115284419

IUPAC2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
SMILESCc1cc(NC(C(=O)O)c2cccs2)ccc1C(N)=O
InChIInChI=1S/C14H14N2O3S/c1-8-7-9(4-5-10(8)13(15)17)16-12(14(18)19)11-3-2-6-20-11/h2-7,12,16H,1H3,(H2,15,17)(H,18,19)
InChIKeyIECNABZVORSPTP-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.39
Rot. Bonds5

About 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid

2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid (PubChem CID 115284419) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
PubChem CID115284419
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
SMILESCc1cc(NC(C(=O)O)c2cccs2)ccc1C(N)=O
InChIInChI=1S/C14H14N2O3S/c1-8-7-9(4-5-10(8)13(15)17)16-12(14(18)19)11-3-2-6-20-11/h2-7,12,16H,1H3,(H2,15,17)(H,18,19)
InChIKeyIECNABZVORSPTP-UHFFFAOYSA-N
XLogP2.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoyl-6-methyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284584
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284521
2-(4-carbamoyl-3-methylanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288415
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
CID 115284600
2-methyl-4-(1-thiophen-2-ylbutylamino)benzoic acid
CID 81282435
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115354802
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-[(3-ethoxycarbonyl-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115284414

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid (CID 115284419) is 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid is Cc1cc(NC(C(=O)O)c2cccs2)ccc1C(N)=O.
What is the InChIKey of 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid?
The InChIKey is IECNABZVORSPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-7-9(4-5-10(8)13(15)17)16-12(14(18)19)11-3-2-6-20-11/h2-7,12,16H,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid?
2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid has a molecular weight of 290.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).