(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide

C20H25NO2S — CID 99873303

IUPAC(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)N(Cc1cccs1)C1CCOCC1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-2-19(16-7-4-3-5-8-16)20(22)21(15-18-9-6-14-24-18)17-10-12-23-13-11-17/h3-9,14,17,19H,2,10-13,15H2,1H3/t19-/m0/s1
InChIKeyLBIGZRHLAYGLDB-IBGZPJMESA-N
MW343.49 g/mol
LogP4.45
Rot. Bonds6

About (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide

(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 99873303) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID99873303
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)N(Cc1cccs1)C1CCOCC1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-2-19(16-7-4-3-5-8-16)20(22)21(15-18-9-6-14-24-18)17-10-12-23-13-11-17/h3-9,14,17,19H,2,10-13,15H2,1H3/t19-/m0/s1
InChIKeyLBIGZRHLAYGLDB-IBGZPJMESA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
N-[3-[[cyclopropyl(2-phenylbutanoyl)amino]methyl]-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 42817212
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610612
1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 90610643

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide (CID 99873303) is (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide is CC[C@H](C(=O)N(Cc1cccs1)C1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is LBIGZRHLAYGLDB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2S/c1-2-19(16-7-4-3-5-8-16)20(22)21(15-18-9-6-14-24-18)17-10-12-23-13-11-17/h3-9,14,17,19H,2,10-13,15H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide?
(2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 343.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(oxan-4-yl)-2-phenyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 99873303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).