1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide

C23H28N2O3S — CID 50822174

IUPAC1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O3S/c1-4-15-24-22(26)23(13-14-23)19-7-9-20(10-8-19)25-29(27,28)21-11-5-18(6-12-21)16-17(2)3/h4-12,17,25H,1,13-16H2,2-3H3,(H,24,26)
InChIKeyHLSFOMCMJYWBOJ-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.02
Rot. Bonds9

About 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide

1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide (PubChem CID 50822174) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
PubChem CID50822174
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O3S/c1-4-15-24-22(26)23(13-14-23)19-7-9-20(10-8-19)25-29(27,28)21-11-5-18(6-12-21)16-17(2)3/h4-12,17,25H,1,13-16H2,2-3H3,(H,24,26)
InChIKeyHLSFOMCMJYWBOJ-UHFFFAOYSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822332
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
N-prop-2-enyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 50822133
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822271
1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822134
1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062254
N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378255
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062136
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
N-(3-methylbutyl)-1-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061781

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide (CID 50822174) is 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide is C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
The InChIKey is HLSFOMCMJYWBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-4-15-24-22(26)23(13-14-23)19-7-9-20(10-8-19)25-29(27,28)21-11-5-18(6-12-21)16-17(2)3/h4-12,17,25H,1,13-16H2,2-3H3,(H,24,26).
What are the key properties of 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide?
1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide is sourced from PubChem (CID 50822174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).