(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide

C15H19ClN2O2S — CID 146105735

IUPAC(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide
SMILESO=C(/C=C/C(=O)NC1CC1)NCCCCc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN2O2S/c16-13-7-6-12(21-13)3-1-2-10-17-14(19)8-9-15(20)18-11-4-5-11/h6-9,11H,1-5,10H2,(H,17,19)(H,18,20)/b9-8+
InChIKeyZWDCFTWOGJOAEW-CMDGGOBGSA-N
MW326.85 g/mol
LogP2.68
Rot. Bonds8

About (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide

(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide (PubChem CID 146105735) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide
PubChem CID146105735
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide
SMILESO=C(/C=C/C(=O)NC1CC1)NCCCCc1ccc(Cl)s1
InChIInChI=1S/C15H19ClN2O2S/c16-13-7-6-12(21-13)3-1-2-10-17-14(19)8-9-15(20)18-11-4-5-11/h6-9,11H,1-5,10H2,(H,17,19)(H,18,20)/b9-8+
InChIKeyZWDCFTWOGJOAEW-CMDGGOBGSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide 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

N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
1-[4-(5-chlorothiophen-2-yl)butyl]-3-[(3R)-1-methyl-6-oxopiperidin-3-yl]urea
CID 124843699
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
N-[4-(5-chlorothiophen-2-yl)butyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 119052875
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 119475922
(3S,4S)-1-[4-(5-chlorothiophen-2-yl)butylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122013698
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-[3-(cyclopropylmethoxy)propyl]urea
CID 87002686
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
(2S)-N-[4-(5-chlorothiophen-2-yl)butyl]-2-methyl-3-oxo-1,4-diazepane-1-carboxamide
CID 124842975
(2S)-N-[4-(5-chlorothiophen-2-yl)butyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 100642909

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide?
The IUPAC name of (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide (CID 146105735) is (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide.
What is the SMILES notation for (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide?
The canonical SMILES for (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide is O=C(/C=C/C(=O)NC1CC1)NCCCCc1ccc(Cl)s1.
What is the InChIKey of (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide?
The InChIKey is ZWDCFTWOGJOAEW-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c16-13-7-6-12(21-13)3-1-2-10-17-14(19)8-9-15(20)18-11-4-5-11/h6-9,11H,1-5,10H2,(H,17,19)(H,18,20)/b9-8+.
What are the key properties of (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide?
(E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide has a molecular weight of 326.85 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5-chlorothiophen-2-yl)butyl]-N'-cyclopropylbut-2-enediamide is sourced from PubChem (CID 146105735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).