N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide

C17H22N2OS2 — CID 124619228

IUPACN-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C17H22N2OS2/c1-12(15(19(2)3)13-8-6-5-7-9-13)18-17(20)16-14(21-4)10-11-22-16/h5-12,15H,1-4H3,(H,18,20)/t12-,15-/m0/s1
InChIKeySFWQNYDVNRUVPA-WFASDCNBSA-N
MW334.51 g/mol
LogP3.89
Rot. Bonds6

About N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide

N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide (PubChem CID 124619228) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
PubChem CID124619228
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC NameN-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccsc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C
InChIInChI=1S/C17H22N2OS2/c1-12(15(19(2)3)13-8-6-5-7-9-13)18-17(20)16-14(21-4)10-11-22-16/h5-12,15H,1-4H3,(H,18,20)/t12-,15-/m0/s1
InChIKeySFWQNYDVNRUVPA-WFASDCNBSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
4-acetyl-N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-fluorobenzamide
CID 129358274
N-(2-hydroxy-2-phenylpropyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111335113
4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
CID 129480454
(E)-2-[(3-methylsulfanylthiophene-2-carbonyl)amino]hex-4-enoic acid
CID 120693770
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478
N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 99839436
N-[4-(1-methylpyrrol-2-yl)-1,3-thiazol-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 167777886
N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide
CID 119036959
N-(4-hydroxy-2-methylpentyl)-3-methylsulfanylthiophene-2-carboxamide
CID 111447422
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
3-methylsulfanyl-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 86775123

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide (CID 124619228) is N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide is CSc1ccsc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C.
What is the InChIKey of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
The InChIKey is SFWQNYDVNRUVPA-WFASDCNBSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-12(15(19(2)3)13-8-6-5-7-9-13)18-17(20)16-14(21-4)10-11-22-16/h5-12,15H,1-4H3,(H,18,20)/t12-,15-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide?
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 124619228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).