N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide

C29H28N4O7S2 — CID 177445891

IUPACN-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Cc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C29H28N4O7S2/c1-18(34)16-21-17-28(32-41(37,38)24-12-8-22(9-13-24)30-19(2)35)26-6-4-5-7-27(26)29(21)33-42(39,40)25-14-10-23(11-15-25)31-20(3)36/h4-15,17,32-33H,16H2,1-3H3,(H,30,35)(H,31,36)
InChIKeySSUDEPPIKACSJT-UHFFFAOYSA-N
MW608.70 g/mol
LogP4.49
Rot. Bonds10

About N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide (PubChem CID 177445891) has the molecular formula C29H28N4O7S2 and a molecular weight of 608.70 g/mol. Its IUPAC name is N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide
PubChem CID177445891
Molecular FormulaC29H28N4O7S2
Molecular Weight608.70 g/mol
Exact Mass608.14
IUPAC NameN-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Cc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C29H28N4O7S2/c1-18(34)16-21-17-28(32-41(37,38)24-12-8-22(9-13-24)30-19(2)35)26-6-4-5-7-27(26)29(21)33-42(39,40)25-14-10-23(11-15-25)31-20(3)36/h4-15,17,32-33H,16H2,1-3H3,(H,30,35)(H,31,36)
InChIKeySSUDEPPIKACSJT-UHFFFAOYSA-N
XLogP4.49
TPSA167.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.70
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[4-[(4-ethoxyphenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]benzenesulfonamide
CID 119057445
6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide
CID 177442010
N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide
CID 46308052
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
2-hydroxy-4-[[4-[[4-[(3-hydroxy-4-sulfonaphthalen-1-yl)sulfamoyl]phenyl]carbamoylamino]phenyl]sulfonylamino]naphthalene-1-sulfonic acid
CID 23314380
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide (CID 177445891) is N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide is CC(=O)Cc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc2c1NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is SSUDEPPIKACSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O7S2/c1-18(34)16-21-17-28(32-41(37,38)24-12-8-22(9-13-24)30-19(2)35)26-6-4-5-7-27(26)29(21)33-42(39,40)25-14-10-23(11-15-25)31-20(3)36/h4-15,17,32-33H,16H2,1-3H3,(H,30,35)(H,31,36).
What are the key properties of N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 608.70 g/mol, XLogP of 4.49, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 177445891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).