(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide

C23H28N2O3S — CID 55687745

IUPAC(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-3-18(2)25(17-20-7-5-4-6-8-20)23(26)16-11-19-9-14-22(15-10-19)29(27,28)24-21-12-13-21/h4-11,14-16,18,21,24H,3,12-13,17H2,1-2H3/b16-11+
InChIKeyDSTZXHRLSOHJAV-LFIBNONCSA-N
MW412.56 g/mol
LogP3.97
Rot. Bonds9

About (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide

(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 55687745) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
PubChem CID55687745
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-3-18(2)25(17-20-7-5-4-6-8-20)23(26)16-11-19-9-14-22(15-10-19)29(27,28)24-21-12-13-21/h4-11,14-16,18,21,24H,3,12-13,17H2,1-2H3/b16-11+
InChIKeyDSTZXHRLSOHJAV-LFIBNONCSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylprop-2-enamide
CID 39288139
4-[(E)-3-[benzyl(butan-2-yl)amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002752
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55917955
4-[[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 39412399
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
(E)-N-[4-[(1-benzylpiperidin-4-yl)sulfamoyl]phenyl]-3-(4-cyanophenyl)-N-methylprop-2-enamide;hydrochloride
CID 22918930
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-(9H-xanthen-9-yl)prop-2-enamide
CID 56547389
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(furan-2-yl)butan-2-yl]prop-2-enamide
CID 55687353
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
N-benzyl-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-hydroxyethylamino)-2-oxo-1-phenylethyl]propanamide
CID 133236966
benzyl(butan-2-yl)carbamic acid
CID 18954164
[4-[[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 6148406

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide (CID 55687745) is (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide is CCC(C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is DSTZXHRLSOHJAV-LFIBNONCSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-3-18(2)25(17-20-7-5-4-6-8-20)23(26)16-11-19-9-14-22(15-10-19)29(27,28)24-21-12-13-21/h4-11,14-16,18,21,24H,3,12-13,17H2,1-2H3/b16-11+.
What are the key properties of (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 412.56 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55687745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).