N-tert-butyl-2-phenylsulfanylpropanamide

C13H19NOS — CID 2889192

IUPACN-tert-butyl-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19NOS/c1-10(12(15)14-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)
InChIKeyPZSFGMODBFFFQR-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds3

About N-tert-butyl-2-phenylsulfanylpropanamide

N-tert-butyl-2-phenylsulfanylpropanamide (PubChem CID 2889192) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-tert-butyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-phenylsulfanylpropanamide
PubChem CID2889192
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-tert-butyl-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H19NOS/c1-10(12(15)14-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15)
InChIKeyPZSFGMODBFFFQR-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
N-cyclopentyl-3-phenylthiopropanamide
CID 875577
N-tert-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 900385
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylsulfanylbutanamide
CID 2997922
4-Methyl-4-(phenylsulfanylmethyl)azetidin-2-one
CID 326887
N-tert-Butyl-2-p-tolylsulfanyl-acetamide
CID 846783
N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 49865423
N-[(2S)-1-phenylsulfanylpropan-2-yl]acetamide
CID 49865425
N-cyclopropyl-2-phenylsulfanylacetamide
CID 881574
N-methyl-2-(phenylsulfanyl)acetamide
CID 965608
N-[(2R)-1-phenylsulfanylpropan-2-yl]acetamide
CID 49865424

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-phenylsulfanylpropanamide (CID 2889192) is N-tert-butyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-phenylsulfanylpropanamide?
The InChIKey is PZSFGMODBFFFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(12(15)14-13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-phenylsulfanylpropanamide?
N-tert-butyl-2-phenylsulfanylpropanamide has a molecular weight of 237.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2889192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).