(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide

C20H21ClN2O3S2 — CID 38966225

IUPAC(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H21ClN2O3S2/c1-2-13-23(14-17-8-11-19(21)27-17)20(24)12-5-15-3-9-18(10-4-15)28(25,26)22-16-6-7-16/h2-5,8-12,16,22H,1,6-7,13-14H2/b12-5+
InChIKeyPRXVIHWZNKGIHP-LFYBBSHMSA-N
MW436.99 g/mol
LogP4.07
Rot. Bonds9

About (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide

(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide (PubChem CID 38966225) has the molecular formula C20H21ClN2O3S2 and a molecular weight of 436.99 g/mol. Its IUPAC name is (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
PubChem CID38966225
Molecular FormulaC20H21ClN2O3S2
Molecular Weight436.99 g/mol
Exact Mass436.07
IUPAC Name(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C20H21ClN2O3S2/c1-2-13-23(14-17-8-11-19(21)27-17)20(24)12-5-15-3-9-18(10-4-15)28(25,26)22-16-6-7-16/h2-5,8-12,16,22H,1,6-7,13-14H2/b12-5+
InChIKeyPRXVIHWZNKGIHP-LFYBBSHMSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.99
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-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

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55917955
(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylprop-2-enamide
CID 39288139
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672288
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974499
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 55360515
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyrrolidine-2-carboxamide
CID 60717412
N-[(5-chlorothiophen-2-yl)methyl]-3-cyclopropyl-3-hydroxy-3-phenyl-N-prop-2-enylpropanamide
CID 71845121
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
(E)-N-benzyl-N-butan-2-yl-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 55687745

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide (CID 38966225) is (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide is C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is PRXVIHWZNKGIHP-LFYBBSHMSA-N. The full InChI is InChI=1S/C20H21ClN2O3S2/c1-2-13-23(14-17-8-11-19(21)27-17)20(24)12-5-15-3-9-18(10-4-15)28(25,26)22-16-6-7-16/h2-5,8-12,16,22H,1,6-7,13-14H2/b12-5+.
What are the key properties of (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide?
(E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 436.99 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-chlorothiophen-2-yl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 38966225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).