N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide

C18H23N3O2S — CID 94812073

IUPACN-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)CNC(=O)c2ccsc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-4-6-14(7-5-13)16(21(2)3)10-19-17(22)11-20-18(23)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyJNFRPWDFLUADLQ-MRXNPFEDSA-N
MW345.47 g/mol
LogP2.21
Rot. Bonds7

About N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 94812073) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID94812073
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)CNC(=O)c2ccsc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-4-6-14(7-5-13)16(21(2)3)10-19-17(22)11-20-18(23)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyJNFRPWDFLUADLQ-MRXNPFEDSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 51096084
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-methylbenzamide
CID 7496074
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-phenylbenzamide
CID 8701383
2-amino-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methylpropanamide
CID 119859431
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46593260
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
1-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylurea
CID 94214383
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide (CID 94812073) is N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide is Cc1ccc([C@@H](CNC(=O)CNC(=O)c2ccsc2)N(C)C)cc1.
What is the InChIKey of N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is JNFRPWDFLUADLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-4-6-14(7-5-13)16(21(2)3)10-19-17(22)11-20-18(23)15-8-9-24-12-15/h4-9,12,16H,10-11H2,1-3H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 94812073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).