(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide

C17H16ClNOS — CID 51112980

IUPAC(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NCC1CC1
InChIInChI=1S/C17H16ClNOS/c18-15-4-2-1-3-14(15)16-9-7-13(21-16)8-10-17(20)19-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,19,20)/b10-8+
InChIKeyIVXNUNAGTSEPPG-CSKARUKUSA-N
MW317.84 g/mol
LogP4.61
Rot. Bonds5

About (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide

(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide (PubChem CID 51112980) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide
PubChem CID51112980
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NCC1CC1
InChIInChI=1S/C17H16ClNOS/c18-15-4-2-1-3-14(15)16-9-7-13(21-16)8-10-17(20)19-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,19,20)/b10-8+
InChIKeyIVXNUNAGTSEPPG-CSKARUKUSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 36815969
propan-2-yl 2-[[(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]prop-2-enoyl]amino]acetate
CID 56551270
3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55933444
(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46550015
3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(4-oxoquinazolin-3-yl)prop-2-enamide
CID 76859164
N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
CID 36801314
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 16563181
(E)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 98910939
(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 78846287
(E)-3-(2-bromophenyl)-N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106123126

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide (CID 51112980) is (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)NCC1CC1.
What is the InChIKey of (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide?
The InChIKey is IVXNUNAGTSEPPG-CSKARUKUSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-15-4-2-1-3-14(15)16-9-7-13(21-16)8-10-17(20)19-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,19,20)/b10-8+.
What are the key properties of (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide?
(E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide has a molecular weight of 317.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-chlorophenyl)thiophen-2-yl]-N-(cyclopropylmethyl)prop-2-enamide is sourced from PubChem (CID 51112980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).