N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide

C20H24N2O4S2 — CID 30390392

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCCSc1ccccc1
InChIInChI=1S/C20H24N2O4S2/c1-26-19-12-11-17(28(24,25)22-15-9-10-15)14-18(19)21-20(23)8-5-13-27-16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15,22H,5,8-10,13H2,1H3,(H,21,23)
InChIKeyRLUGXGMJXORETM-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.65
Rot. Bonds10

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide (PubChem CID 30390392) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
PubChem CID30390392
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCCSc1ccccc1
InChIInChI=1S/C20H24N2O4S2/c1-26-19-12-11-17(28(24,25)22-15-9-10-15)14-18(19)21-20(23)8-5-13-27-16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15,22H,5,8-10,13H2,1H3,(H,21,23)
InChIKeyRLUGXGMJXORETM-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-phenylpropanamide
CID 119949323
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55871753
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 46535363
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 33159226
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 30390422
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
CID 33307064

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide (CID 30390392) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCCSc1ccccc1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide?
The InChIKey is RLUGXGMJXORETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-26-19-12-11-17(28(24,25)22-15-9-10-15)14-18(19)21-20(23)8-5-13-27-16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15,22H,5,8-10,13H2,1H3,(H,21,23).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide has a molecular weight of 420.56 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide is sourced from PubChem (CID 30390392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).