N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide

C21H20ClN3O5S — CID 5006611

IUPACN-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C21H20ClN3O5S/c1-13-8-9-17(31(28,29)25-16-6-3-5-15(22)11-16)12-18(13)24-20(26)14(2)23-21(27)19-7-4-10-30-19/h3-12,14,25H,1-2H3,(H,23,27)(H,24,26)
InChIKeyYGMDVEIYSGAEAA-UHFFFAOYSA-N
MW461.93 g/mol
LogP3.80
Rot. Bonds7

About N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 5006611) has the molecular formula C21H20ClN3O5S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID5006611
Molecular FormulaC21H20ClN3O5S
Molecular Weight461.93 g/mol
Exact Mass461.08
IUPAC NameN-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C21H20ClN3O5S/c1-13-8-9-17(31(28,29)25-16-6-3-5-15(22)11-16)12-18(13)24-20(26)14(2)23-21(27)19-7-4-10-30-19/h3-12,14,25H,1-2H3,(H,23,27)(H,24,26)
InChIKeyYGMDVEIYSGAEAA-UHFFFAOYSA-N
XLogP3.80
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 5028088
N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide
CID 36925060
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 648040
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-(5-acetamido-2-methylphenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 46454566
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
N-[(2S)-1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138220
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 5006611) is N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is YGMDVEIYSGAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S/c1-13-8-9-17(31(28,29)25-16-6-3-5-15(22)11-16)12-18(13)24-20(26)14(2)23-21(27)19-7-4-10-30-19/h3-12,14,25H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 461.93 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(3-chlorophenyl)sulfamoyl]-2-methylanilino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 5006611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).