1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide

C24H31N3O5S — CID 46378229

IUPAC1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCN4CCOCC4)CC3)cc2)c1
InChIInChI=1S/C24H31N3O5S/c1-31-21-4-2-5-22(18-21)33(29,30)26-20-8-6-19(7-9-20)24(10-11-24)23(28)25-12-3-13-27-14-16-32-17-15-27/h2,4-9,18,26H,3,10-17H2,1H3,(H,25,28)
InChIKeyLMQKKWHTELKTCD-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.37
Rot. Bonds10

About 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide

1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 46378229) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
PubChem CID46378229
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCN4CCOCC4)CC3)cc2)c1
InChIInChI=1S/C24H31N3O5S/c1-31-21-4-2-5-22(18-21)33(29,30)26-20-8-6-19(7-9-20)24(10-11-24)23(28)25-12-3-13-27-14-16-32-17-15-27/h2,4-9,18,26H,3,10-17H2,1H3,(H,25,28)
InChIKeyLMQKKWHTELKTCD-UHFFFAOYSA-N
XLogP2.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062005
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062195
1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclobutane-1-carboxamide
CID 50827206
1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061993
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062136
N-butan-2-yl-1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061924
N-(2-morpholin-4-ylethyl)-1-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062183
3-[(4-butylphenyl)sulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 55347238
1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 50822417

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide (CID 46378229) is 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide is COc1cccc(S(=O)(=O)Nc2ccc(C3(C(=O)NCCCN4CCOCC4)CC3)cc2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is LMQKKWHTELKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-31-21-4-2-5-22(18-21)33(29,30)26-20-8-6-19(7-9-20)24(10-11-24)23(28)25-12-3-13-27-14-16-32-17-15-27/h2,4-9,18,26H,3,10-17H2,1H3,(H,25,28).
What are the key properties of 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 46378229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).