tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide

C21H30N2O3S — CID 156791374

IUPACtert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide
SMILESCC(C)(C)OC(N)=O.CC(C)CCC(=O)NSc1cccc2ccccc12
InChIInChI=1S/C16H19NOS.C5H11NO2/c1-12(2)10-11-16(18)17-19-15-9-5-7-13-6-3-4-8-14(13)15;1-5(2,3)8-4(6)7/h3-9,12H,10-11H2,1-2H3,(H,17,18);1-3H3,(H2,6,7)
InChIKeyKCXUMAVPIWWPJC-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.28
Rot. Bonds5

About tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide

tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide (PubChem CID 156791374) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide.

Molecular Properties

Compound Nametert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide
PubChem CID156791374
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Nametert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide
SMILESCC(C)(C)OC(N)=O.CC(C)CCC(=O)NSc1cccc2ccccc12
InChIInChI=1S/C16H19NOS.C5H11NO2/c1-12(2)10-11-16(18)17-19-15-9-5-7-13-6-3-4-8-14(13)15;1-5(2,3)8-4(6)7/h3-9,12H,10-11H2,1-2H3,(H,17,18);1-3H3,(H2,6,7)
InChIKeyKCXUMAVPIWWPJC-UHFFFAOYSA-N
XLogP5.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(dimethylamino)naphthalen-1-yl]sulfanyl-4-methylpentanamide
CID 145138090
tert-butyl carbamate;N-[3-(4-chlorophenoxy)phenyl]sulfanyl-4-methylpentanamide
CID 156791382
CID 156791517
CID 156791517
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
tert-butyl N-[(2S)-4-(naphthalen-1-ylamino)-4-oxobutan-2-yl]carbamate
CID 118899189
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91282149
tert-butyl carbamate;2-phenylquinoline
CID 175279486
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
tert-butyl carbamate;1-phenylpropan-1-ol
CID 21221796
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide?
The IUPAC name of tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide (CID 156791374) is tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide.
What is the SMILES notation for tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide?
The canonical SMILES for tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide is CC(C)(C)OC(N)=O.CC(C)CCC(=O)NSc1cccc2ccccc12.
What is the InChIKey of tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide?
The InChIKey is KCXUMAVPIWWPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS.C5H11NO2/c1-12(2)10-11-16(18)17-19-15-9-5-7-13-6-3-4-8-14(13)15;1-5(2,3)8-4(6)7/h3-9,12H,10-11H2,1-2H3,(H,17,18);1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide?
tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide has a molecular weight of 390.55 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;4-methyl-N-naphthalen-1-ylsulfanylpentanamide is sourced from PubChem (CID 156791374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).