N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide

C21H20ClN3O4S2 — CID 4626135

IUPACN-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C21H20ClN3O4S2/c22-15-3-5-16(6-4-15)24-31(27,28)17-7-8-19(25-9-11-29-12-10-25)18(14-17)23-21(26)20-2-1-13-30-20/h1-8,13-14,24H,9-12H2,(H,23,26)
InChIKeyRMUAQDMCXZWNHV-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.29
Rot. Bonds6

About N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide

N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide (PubChem CID 4626135) has the molecular formula C21H20ClN3O4S2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
PubChem CID4626135
Molecular FormulaC21H20ClN3O4S2
Molecular Weight478.00 g/mol
Exact Mass477.06
IUPAC NameN-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1)c1cccs1
InChIInChI=1S/C21H20ClN3O4S2/c22-15-3-5-16(6-4-15)24-31(27,28)17-7-8-19(25-9-11-29-12-10-25)18(14-17)23-21(26)20-2-1-13-30-20/h1-8,13-14,24H,9-12H2,(H,23,26)
InChIKeyRMUAQDMCXZWNHV-UHFFFAOYSA-N
XLogP4.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]carbamothioyl]-4-methylbenzamide
CID 4246175
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 94151005
N-[5-[(2-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 5168482
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]naphthalene-2-carboxamide
CID 3996463
2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide
CID 3483793
methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
CID 5113515
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide
CID 4257487
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]quinoline-2-carboxamide
CID 4848579
4-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylanilino]-4-oxobut-2-enoic acid
CID 4868398
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide (CID 4626135) is N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide is O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1)c1cccs1.
What is the InChIKey of N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
The InChIKey is RMUAQDMCXZWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S2/c22-15-3-5-16(6-4-15)24-31(27,28)17-7-8-19(25-9-11-29-12-10-25)18(14-17)23-21(26)20-2-1-13-30-20/h1-8,13-14,24H,9-12H2,(H,23,26).
What are the key properties of N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide?
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide has a molecular weight of 478.00 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4626135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).