N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide

C21H20BrN3O6S — CID 5028088

IUPACN-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C21H20BrN3O6S/c1-13(23-21(27)19-4-3-11-31-19)20(26)24-17-12-16(9-10-18(17)30-2)32(28,29)25-15-7-5-14(22)6-8-15/h3-13,25H,1-2H3,(H,23,27)(H,24,26)
InChIKeyLJUZYOFLEKRCQK-UHFFFAOYSA-N
MW522.38 g/mol
LogP3.61
Rot. Bonds8

About N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 5028088) has the molecular formula C21H20BrN3O6S and a molecular weight of 522.38 g/mol. Its IUPAC name is N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID5028088
Molecular FormulaC21H20BrN3O6S
Molecular Weight522.38 g/mol
Exact Mass521.03
IUPAC NameN-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C21H20BrN3O6S/c1-13(23-21(27)19-4-3-11-31-19)20(26)24-17-12-16(9-10-18(17)30-2)32(28,29)25-15-7-5-14(22)6-8-15/h3-13,25H,1-2H3,(H,23,27)(H,24,26)
InChIKeyLJUZYOFLEKRCQK-UHFFFAOYSA-N
XLogP3.61
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.38
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 5006611
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[[5-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 4603438
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
CID 4905370
N-[(2S)-1-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 98396248
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-oxochromene-3-carboxamide
CID 3290288
N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
CID 4885012
N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 169372341
N-[3-[(4-bromobenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 5091898
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 4850822
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 5028088) is N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NC(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is LJUZYOFLEKRCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O6S/c1-13(23-21(27)19-4-3-11-31-19)20(26)24-17-12-16(9-10-18(17)30-2)32(28,29)25-15-7-5-14(22)6-8-15/h3-13,25H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 522.38 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5028088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).