1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide

C22H27N3O4S — CID 50822228

IUPAC1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O4S/c1-3-15-23-21(27)22(13-14-22)16-5-7-18(8-6-16)25-30(28,29)19-11-9-17(10-12-19)24-20(26)4-2/h5-12,25H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQLYHZYWOEOFZPW-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.39
Rot. Bonds9

About 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide

1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 50822228) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
PubChem CID50822228
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O4S/c1-3-15-23-21(27)22(13-14-22)16-5-7-18(8-6-16)25-30(28,29)19-11-9-17(10-12-19)24-20(26)4-2/h5-12,25H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQLYHZYWOEOFZPW-UHFFFAOYSA-N
XLogP3.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822304
N-butyl-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822226
N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062387
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822392
N-butyl-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378339
N-(2-phenylethyl)-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822306
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
N-propyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062369
1-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 34175638
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062380
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide (CID 50822228) is 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is QLYHZYWOEOFZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-15-23-21(27)22(13-14-22)16-5-7-18(8-6-16)25-30(28,29)19-11-9-17(10-12-19)24-20(26)4-2/h5-12,25H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide?
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 50822228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).