N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C16H18N2O2S — CID 18114369

IUPACN-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-5-7-13(8-6-12)11-18(2)15(19)10-17-16(20)14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,20)
InChIKeyNCCZQHGIJZDTQH-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.44
Rot. Bonds5

About N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18114369) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18114369
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-5-7-13(8-6-12)11-18(2)15(19)10-17-16(20)14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,20)
InChIKeyNCCZQHGIJZDTQH-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3215646
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134058776
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 9108741
2-methyl-5-[[methyl-[2-(thiophene-2-carbonylamino)acetyl]amino]methyl]furan-3-carboxylic acid
CID 120522848
N-[3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 38746463
N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 26980079
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993
N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 113476087
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
N-[2-[(2-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 109400317

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 18114369) is N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(CN(C)C(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is NCCZQHGIJZDTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-5-7-13(8-6-12)11-18(2)15(19)10-17-16(20)14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18114369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).