N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide

C23H23N3O3S — CID 55455739

IUPACN-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccccc2NC(=O)c2ccsc2)c(C)c1
InChIInChI=1S/C23H23N3O3S/c1-14-10-15(2)21(16(3)11-14)26-20(27)12-24-23(29)18-6-4-5-7-19(18)25-22(28)17-8-9-30-13-17/h4-11,13H,12H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyXHUVQPJSQWMQRS-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.29
Rot. Bonds6

About N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 55455739) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID55455739
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccccc2NC(=O)c2ccsc2)c(C)c1
InChIInChI=1S/C23H23N3O3S/c1-14-10-15(2)21(16(3)11-14)26-20(27)12-24-23(29)18-6-4-5-7-19(18)25-22(28)17-8-9-30-13-17/h4-11,13H,12H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyXHUVQPJSQWMQRS-UHFFFAOYSA-N
XLogP4.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 17464042
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455727
N-[(2,4,6-trimethylphenyl)methyl]thiophene-3-carboxamide
CID 47161409
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2,3-dimethoxy-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713943
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide (CID 55455739) is N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2NC(=O)c2ccsc2)c(C)c1.
What is the InChIKey of N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is XHUVQPJSQWMQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-14-10-15(2)21(16(3)11-14)26-20(27)12-24-23(29)18-6-4-5-7-19(18)25-22(28)17-8-9-30-13-17/h4-11,13H,12H2,1-3H3,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55455739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).