N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

C21H18N4O4S — CID 1072493

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc(C)n1
InChIInChI=1S/C21H18N4O4S/c1-13-11-20(23-14(2)22-13)25-30(27,28)17-9-7-16(8-10-17)24-21(26)19-12-15-5-3-4-6-18(15)29-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNCDYDFMITDCUDD-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.89
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1072493) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID1072493
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc(C)n1
InChIInChI=1S/C21H18N4O4S/c1-13-11-20(23-14(2)22-13)25-30(27,28)17-9-7-16(8-10-17)24-21(26)19-12-15-5-3-4-6-18(15)29-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyNCDYDFMITDCUDD-UHFFFAOYSA-N
XLogP3.89
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1241577
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
CID 986954
3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide
CID 1244069
5-bromo-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide
CID 1407193
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 2443855
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 16013960
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)propanamide
CID 24979691
5-fluoro-3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide
CID 986542
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 2434717
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-[4-(2,6-Dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-4-methoxy-benzamide
CID 1072494
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-4-oxo-4H-chromene-2-carboxamide
CID 1183749

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide (CID 1072493) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NCDYDFMITDCUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-13-11-20(23-14(2)22-13)25-30(27,28)17-9-7-16(8-10-17)24-21(26)19-12-15-5-3-4-6-18(15)29-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1072493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).