2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide

C17H22N2OS — CID 78963148

IUPAC2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
SMILESCC(NCC(C)(C)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H22N2OS/c1-13(16(20)19-14-8-5-4-6-9-14)18-12-17(2,3)15-10-7-11-21-15/h4-11,13,18H,12H2,1-3H3,(H,19,20)
InChIKeyRNWDSVOCBNOVNG-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.64
Rot. Bonds6

About 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide

2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide (PubChem CID 78963148) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
PubChem CID78963148
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
SMILESCC(NCC(C)(C)c1cccs1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H22N2OS/c1-13(16(20)19-14-8-5-4-6-9-14)18-12-17(2,3)15-10-7-11-21-15/h4-11,13,18H,12H2,1-3H3,(H,19,20)
InChIKeyRNWDSVOCBNOVNG-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-pentylpropanamide
CID 78963633
2-cyclopropyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetic acid
CID 103257602
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 80525988
(2R)-2-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylacetamide
CID 80527246
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-(benzylamino)-N-phenylpropanamide
CID 4877973
methyl 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoate
CID 115353516

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide (CID 78963148) is 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide is CC(NCC(C)(C)c1cccs1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide?
The InChIKey is RNWDSVOCBNOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13(16(20)19-14-8-5-4-6-9-14)18-12-17(2,3)15-10-7-11-21-15/h4-11,13,18H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide?
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 78963148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).