N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide

C15H18N4O2S — CID 30835013

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
SMILESCN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1
InChIInChI=1S/C15H18N4O2S/c1-19(2)12(13-4-3-9-22-13)10-17-14(20)15(21)18-11-5-7-16-8-6-11/h3-9,12H,10H2,1-2H3,(H,17,20)(H,16,18,21)/t12-/m0/s1
InChIKeyNGNWIHFAZCJMPT-LBPRGKRZSA-N
MW318.40 g/mol
LogP1.50
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide (PubChem CID 30835013) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
PubChem CID30835013
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
SMILESCN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1
InChIInChI=1S/C15H18N4O2S/c1-19(2)12(13-4-3-9-22-13)10-17-14(20)15(21)18-11-5-7-16-8-6-11/h3-9,12H,10H2,1-2H3,(H,17,20)(H,16,18,21)/t12-/m0/s1
InChIKeyNGNWIHFAZCJMPT-LBPRGKRZSA-N
XLogP1.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 18589155
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(pyridin-3-ylmethyl)urea
CID 94017013
5-acetamido-2-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 95122907

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide (CID 30835013) is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide is CN(C)[C@@H](CNC(=O)C(=O)Nc1ccncc1)c1cccs1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide?
The InChIKey is NGNWIHFAZCJMPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19(2)12(13-4-3-9-22-13)10-17-14(20)15(21)18-11-5-7-16-8-6-11/h3-9,12H,10H2,1-2H3,(H,17,20)(H,16,18,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide has a molecular weight of 318.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide is sourced from PubChem (CID 30835013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).