7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide

C16H26N2OS — CID 119797982

IUPAC7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
SMILESCC(C)Sc1ccccc1NC(=O)CCCCCCN
InChIInChI=1S/C16H26N2OS/c1-13(2)20-15-10-7-6-9-14(15)18-16(19)11-5-3-4-8-12-17/h6-7,9-10,13H,3-5,8,11-12,17H2,1-2H3,(H,18,19)
InChIKeyVWSPVWZFXMQSMD-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.03
Rot. Bonds9

About 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide

7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide (PubChem CID 119797982) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
PubChem CID119797982
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide
SMILESCC(C)Sc1ccccc1NC(=O)CCCCCCN
InChIInChI=1S/C16H26N2OS/c1-13(2)20-15-10-7-6-9-14(15)18-16(19)11-5-3-4-8-12-17/h6-7,9-10,13H,3-5,8,11-12,17H2,1-2H3,(H,18,19)
InChIKeyVWSPVWZFXMQSMD-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-propan-2-ylsulfanylphenyl)propanamide
CID 119331778
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
5-methoxy-N-(2-propan-2-ylsulfanylphenyl)pentanamide
CID 71850921
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
4-amino-N-(2-phenylsulfanylphenyl)butanamide
CID 61253617
2-(methylamino)-N-(2-propan-2-ylsulfanylphenyl)acetamide;hydrochloride
CID 119797995
6-amino-N-[2-(methanesulfonamido)phenyl]hexanamide
CID 43710875
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide?
The IUPAC name of 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide (CID 119797982) is 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide is CC(C)Sc1ccccc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide?
The InChIKey is VWSPVWZFXMQSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13(2)20-15-10-7-6-9-14(15)18-16(19)11-5-3-4-8-12-17/h6-7,9-10,13H,3-5,8,11-12,17H2,1-2H3,(H,18,19).
What are the key properties of 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide?
7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide has a molecular weight of 294.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-propan-2-ylsulfanylphenyl)heptanamide is sourced from PubChem (CID 119797982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).