N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide

C17H21N3O2S — CID 95591134

IUPACN-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESC[C@H](CN(C)c1ccccc1)NC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-13(11-20(2)15-6-4-3-5-7-15)19-16(21)10-18-17(22)14-8-9-23-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,22)(H,19,21)/t13-/m1/s1
InChIKeyMASFQGGEVGDFLM-CYBMUJFWSA-N
MW331.44 g/mol
LogP2.12
Rot. Bonds7

About N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 95591134) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID95591134
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESC[C@H](CN(C)c1ccccc1)NC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C17H21N3O2S/c1-13(11-20(2)15-6-4-3-5-7-15)19-16(21)10-18-17(22)14-8-9-23-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,22)(H,19,21)/t13-/m1/s1
InChIKeyMASFQGGEVGDFLM-CYBMUJFWSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
CID 95774795
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
N-(5-methylhexan-2-yl)thiophene-3-carboxamide
CID 134035797
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]thiophene-3-carboxamide
CID 95167795
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
N-[2-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 94812073
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide (CID 95591134) is N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide is C[C@H](CN(C)c1ccccc1)NC(=O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is MASFQGGEVGDFLM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(11-20(2)15-6-4-3-5-7-15)19-16(21)10-18-17(22)14-8-9-23-12-14/h3-9,12-13H,10-11H2,1-2H3,(H,18,22)(H,19,21)/t13-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 95591134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).