N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide

C19H22N2OS — CID 50983728

IUPACN-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccccc1C(=O)N(Cc1ccc(C)s1)C1CC1
InChIInChI=1S/C19H22N2OS/c1-3-12-20-18-7-5-4-6-17(18)19(22)21(15-9-10-15)13-16-11-8-14(2)23-16/h3-8,11,15,20H,1,9-10,12-13H2,2H3
InChIKeyWEMPFKKDQKXOCN-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.46
Rot. Bonds7

About N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide

N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide (PubChem CID 50983728) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide
PubChem CID50983728
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccccc1C(=O)N(Cc1ccc(C)s1)C1CC1
InChIInChI=1S/C19H22N2OS/c1-3-12-20-18-7-5-4-6-17(18)19(22)21(15-9-10-15)13-16-11-8-14(2)23-16/h3-8,11,15,20H,1,9-10,12-13H2,2H3
InChIKeyWEMPFKKDQKXOCN-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70740715
N-butyl-N-cyclopropyl-2-(propylamino)benzamide
CID 62179116
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 46987109
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70743438
(2S)-2-amino-N-cyclopropyl-3-hydroxy-N-[(5-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 154914680
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(prop-2-enylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 50980890
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
N-butyl-2-(prop-2-enylamino)benzamide
CID 71540981
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70753616
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 1059814
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1059817

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide?
The IUPAC name of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide (CID 50983728) is N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide is C=CCNc1ccccc1C(=O)N(Cc1ccc(C)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide?
The InChIKey is WEMPFKKDQKXOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-3-12-20-18-7-5-4-6-17(18)19(22)21(15-9-10-15)13-16-11-8-14(2)23-16/h3-8,11,15,20H,1,9-10,12-13H2,2H3.
What are the key properties of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide?
N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide has a molecular weight of 326.47 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-2-(prop-2-enylamino)benzamide is sourced from PubChem (CID 50983728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).