N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C28H28N4O7S3 — CID 5168482

IUPACN-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C28H28N4O7S3/c1-38-26-6-3-2-5-23(26)31-41(34,35)22-12-13-25(32-14-16-39-17-15-32)24(19-22)29-28(33)20-8-10-21(11-9-20)30-42(36,37)27-7-4-18-40-27/h2-13,18-19,30-31H,14-17H2,1H3,(H,29,33)
InChIKeyMTEAYZHDFWAJHJ-UHFFFAOYSA-N
MW628.75 g/mol
LogP4.45
Rot. Bonds10

About N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 5168482) has the molecular formula C28H28N4O7S3 and a molecular weight of 628.75 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID5168482
Molecular FormulaC28H28N4O7S3
Molecular Weight628.75 g/mol
Exact Mass628.11
IUPAC NameN-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C28H28N4O7S3/c1-38-26-6-3-2-5-23(26)31-41(34,35)22-12-13-25(32-14-16-39-17-15-32)24(19-22)29-28(33)20-8-10-21(11-9-20)30-42(36,37)27-7-4-18-40-27/h2-13,18-19,30-31H,14-17H2,1H3,(H,29,33)
InChIKeyMTEAYZHDFWAJHJ-UHFFFAOYSA-N
XLogP4.45
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.75
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4092833
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237
3-(dimethylsulfamoyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 4849688
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
N-[[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]carbamothioyl]-4-methylbenzamide
CID 4246175
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]cyclopentanecarboxamide
CID 4837031
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 3602525
N-[2-(difluoromethoxy)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37311988

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 5168482) is N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MTEAYZHDFWAJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O7S3/c1-38-26-6-3-2-5-23(26)31-41(34,35)22-12-13-25(32-14-16-39-17-15-32)24(19-22)29-28(33)20-8-10-21(11-9-20)30-42(36,37)27-7-4-18-40-27/h2-13,18-19,30-31H,14-17H2,1H3,(H,29,33).
What are the key properties of N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 628.75 g/mol, XLogP of 4.45, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 5168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).