4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide

C15H24N2OS — CID 66220999

IUPAC4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCSCC(C)(C)N)c1
InChIInChI=1S/C15H24N2OS/c1-12-6-4-7-13(10-12)17-14(18)8-5-9-19-11-15(2,3)16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyRGVWZSDIKZYHBF-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.18
Rot. Bonds7

About 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide

4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide (PubChem CID 66220999) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide
PubChem CID66220999
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)CCCSCC(C)(C)N)c1
InChIInChI=1S/C15H24N2OS/c1-12-6-4-7-13(10-12)17-14(18)8-5-9-19-11-15(2,3)16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyRGVWZSDIKZYHBF-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.18
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

2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetic acid
CID 43352223
2-methyl-2-[4-(3-methylanilino)-4-oxobutyl]sulfanylpropanoic acid
CID 81228776
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
4-(3-aminopyrazin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide
CID 106678707
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
(3R)-3-amino-N-(3-methylphenyl)-3-phenylbutanamide
CID 59627240
4-azido-N-(3-methylphenyl)butanamide
CID 61373304
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
2-[2-(2-tert-butylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 18083809

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide (CID 66220999) is 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)CCCSCC(C)(C)N)c1.
What is the InChIKey of 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide?
The InChIKey is RGVWZSDIKZYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12-6-4-7-13(10-12)17-14(18)8-5-9-19-11-15(2,3)16/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide?
4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide has a molecular weight of 280.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)sulfanyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 66220999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).