4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide

C17H26N2OS — CID 116694565

IUPAC4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
SMILESCC(C)(C)SCCC(NC1CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H26N2OS/c1-16(2,3)21-12-11-17(15(18)20,19-14-9-10-14)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3,(H2,18,20)
InChIKeyFMSZIESXURBHNV-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.04
Rot. Bonds7

About 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide

4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide (PubChem CID 116694565) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
PubChem CID116694565
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Name4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
SMILESCC(C)(C)SCCC(NC1CC1)(C(N)=O)c1ccccc1
InChIInChI=1S/C17H26N2OS/c1-16(2,3)21-12-11-17(15(18)20,19-14-9-10-14)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3,(H2,18,20)
InChIKeyFMSZIESXURBHNV-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
CID 116694311
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
2-(cyclopropylamino)-3-(3-hydroxypropylsulfanyl)-2-phenylpropanoic acid
CID 66126398
2-(cycloheptylamino)-2-phenylpropanamide
CID 54892648
2-(cyclopropylamino)-3-methyl-2-phenylbutanamide
CID 60872947
2-(cyclopropylmethylamino)-2-phenylpentanamide
CID 54890154
methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
CID 116693617
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64818836
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(cyclopropylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanoic acid
CID 107771893

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide?
The IUPAC name of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide (CID 116694565) is 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide.
What is the SMILES notation for 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide?
The canonical SMILES for 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide is CC(C)(C)SCCC(NC1CC1)(C(N)=O)c1ccccc1.
What is the InChIKey of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide?
The InChIKey is FMSZIESXURBHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-16(2,3)21-12-11-17(15(18)20,19-14-9-10-14)13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3,(H2,18,20).
What are the key properties of 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide?
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide has a molecular weight of 306.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide is sourced from PubChem (CID 116694565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).