N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide

C16H19N3O2S — CID 145230164

IUPACN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(N=O)s1)Cc1ccccc1
InChIInChI=1S/C16H19N3O2S/c1-19(2)13(10-12-6-4-3-5-7-12)11-17-16(20)14-8-9-15(18-21)22-14/h3-9,13H,10-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyNHUXXYPEEDTMRE-ZDUSSCGKSA-N
MW317.41 g/mol
LogP3.05
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide (PubChem CID 145230164) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide
PubChem CID145230164
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(N=O)s1)Cc1ccccc1
InChIInChI=1S/C16H19N3O2S/c1-19(2)13(10-12-6-4-3-5-7-12)11-17-16(20)14-8-9-15(18-21)22-14/h3-9,13H,10-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyNHUXXYPEEDTMRE-ZDUSSCGKSA-N
XLogP3.05
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
N-[[4-[[2-(dimethylamino)-3-phenylpropyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55787133
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831
N-[2-(dimethylamino)-3-phenylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51150482
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 75495598
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide (CID 145230164) is N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide is CN(C)[C@H](CNC(=O)c1ccc(N=O)s1)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide?
The InChIKey is NHUXXYPEEDTMRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-19(2)13(10-12-6-4-3-5-7-12)11-17-16(20)14-8-9-15(18-21)22-14/h3-9,13H,10-11H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide?
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-5-nitrosothiophene-2-carboxamide is sourced from PubChem (CID 145230164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).