N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C19H22N2O3S — CID 78779390

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCNC(=O)C3CC3)sc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-16(13-5-7-15(24-2)8-6-13)11-17(25-12)19(23)21-10-9-20-18(22)14-3-4-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWTGIALOYZVSHIJ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 78779390) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID78779390
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCNC(=O)C3CC3)sc2C)cc1
InChIInChI=1S/C19H22N2O3S/c1-12-16(13-5-7-15(24-2)8-6-13)11-17(25-12)19(23)21-10-9-20-18(22)14-3-4-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWTGIALOYZVSHIJ-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119533300
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
4-(4-methoxyphenyl)-5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 78868483
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119572194
N-(3-ethylsulfinylcyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 154805168
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 86938583
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 78779390) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(-c2cc(C(=O)NCCNC(=O)C3CC3)sc2C)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is WTGIALOYZVSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-16(13-5-7-15(24-2)8-6-13)11-17(25-12)19(23)21-10-9-20-18(22)14-3-4-14/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 78779390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).