N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide

C17H18N2O3S2 — CID 46378255

IUPACN-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H18N2O3S2/c1-2-11-18-16(20)17(9-10-17)13-5-7-14(8-6-13)19-24(21,22)15-4-3-12-23-15/h2-8,12,19H,1,9-11H2,(H,18,20)
InChIKeyUAHVDPWUXCSULC-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.88
Rot. Bonds7

About N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide

N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide (PubChem CID 46378255) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
PubChem CID46378255
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
SMILESC=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H18N2O3S2/c1-2-11-18-16(20)17(9-10-17)13-5-7-14(8-6-13)19-24(21,22)15-4-3-12-23-15/h2-8,12,19H,1,9-11H2,(H,18,20)
InChIKeyUAHVDPWUXCSULC-UHFFFAOYSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378235
N-(3-methoxypropyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378261
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822332
N-[[(2R)-oxolan-2-yl]methyl]-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 92880194
N-prop-2-enyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 50822133
1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822174
1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822134
1-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822271
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062136
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclobutane-1-carboxamide
CID 50827173
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide (CID 46378255) is N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide is C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
The InChIKey is UAHVDPWUXCSULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-2-11-18-16(20)17(9-10-17)13-5-7-14(8-6-13)19-24(21,22)15-4-3-12-23-15/h2-8,12,19H,1,9-11H2,(H,18,20).
What are the key properties of N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide?
N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46378255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).