N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide

C22H29N3O5S2 — CID 30829010

IUPACN-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H29N3O5S2/c1-2-3-15-23-31(27,28)21-6-4-5-19(16-21)24-22(26)14-9-17-7-12-20(13-8-17)32(29,30)25-18-10-11-18/h4-8,12-13,16,18,23,25H,2-3,9-11,14-15H2,1H3,(H,24,26)
InChIKeyKRXVSFPVVVESGS-UHFFFAOYSA-N
MW479.62 g/mol
LogP2.78
Rot. Bonds12

About N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide

N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide (PubChem CID 30829010) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
PubChem CID30829010
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H29N3O5S2/c1-2-3-15-23-31(27,28)21-6-4-5-19(16-21)24-22(26)14-9-17-7-12-20(13-8-17)32(29,30)25-18-10-11-18/h4-8,12-13,16,18,23,25H,2-3,9-11,14-15H2,1H3,(H,24,26)
InChIKeyKRXVSFPVVVESGS-UHFFFAOYSA-N
XLogP2.78
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
CID 46547078
3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 24582409
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[4-(butylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17310703
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 24646324
N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide (CID 30829010) is N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide is CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
The InChIKey is KRXVSFPVVVESGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-2-3-15-23-31(27,28)21-6-4-5-19(16-21)24-22(26)14-9-17-7-12-20(13-8-17)32(29,30)25-18-10-11-18/h4-8,12-13,16,18,23,25H,2-3,9-11,14-15H2,1H3,(H,24,26).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide has a molecular weight of 479.62 g/mol, XLogP of 2.78, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 30829010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).