N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide

C20H16BrN3O3S — CID 24681758

IUPACN-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccccc1NC(=O)c1cccs1)Nc1ccccc1Br
InChIInChI=1S/C20H16BrN3O3S/c21-14-7-2-4-9-16(14)23-18(25)12-22-19(26)13-6-1-3-8-15(13)24-20(27)17-10-5-11-28-17/h1-11H,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyVCUGXJGXMLDUOE-UHFFFAOYSA-N
MW458.34 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24681758) has the molecular formula C20H16BrN3O3S and a molecular weight of 458.34 g/mol. Its IUPAC name is N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24681758
Molecular FormulaC20H16BrN3O3S
Molecular Weight458.34 g/mol
Exact Mass457.01
IUPAC NameN-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccccc1NC(=O)c1cccs1)Nc1ccccc1Br
InChIInChI=1S/C20H16BrN3O3S/c21-14-7-2-4-9-16(14)23-18(25)12-22-19(26)13-6-1-3-8-15(13)24-20(27)17-10-5-11-28-17/h1-11H,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyVCUGXJGXMLDUOE-UHFFFAOYSA-N
XLogP4.13
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929
2-anilino-N-[2-(2-bromoanilino)-2-oxoethyl]benzamide
CID 71904660
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483577
5-acetyl-N-[2-(2-bromoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 9089633
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 6215067

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 24681758) is N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccccc1NC(=O)c1cccs1)Nc1ccccc1Br.
What is the InChIKey of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is VCUGXJGXMLDUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3S/c21-14-7-2-4-9-16(14)23-18(25)12-22-19(26)13-6-1-3-8-15(13)24-20(27)17-10-5-11-28-17/h1-11H,12H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 458.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24681758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).