ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide

C19H35NOS — CID 145483758

IUPACethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
SMILESCC.CC.CSC(C)(C)CC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23NOS.2C2H6/c1-14(2,11-15(3,4)18-5)13(17)16-12-9-7-6-8-10-12;2*1-2/h6-10H,11H2,1-5H3,(H,16,17);2*1-2H3
InChIKeyQJZYNCDNZOIZMK-UHFFFAOYSA-N
MW325.56 g/mol
LogP6.24
Rot. Bonds5

About ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide

ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide (PubChem CID 145483758) has the molecular formula C19H35NOS and a molecular weight of 325.56 g/mol. Its IUPAC name is ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide.

Molecular Properties

Compound Nameethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
PubChem CID145483758
Molecular FormulaC19H35NOS
Molecular Weight325.56 g/mol
Exact Mass325.24
IUPAC Nameethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide
SMILESCC.CC.CSC(C)(C)CC(C)(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H23NOS.2C2H6/c1-14(2,11-15(3,4)18-5)13(17)16-12-9-7-6-8-10-12;2*1-2/h6-10H,11H2,1-5H3,(H,16,17);2*1-2H3
InChIKeyQJZYNCDNZOIZMK-UHFFFAOYSA-N
XLogP6.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.56
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
3-methoxy-2,2-dimethyl-N-phenylpropanamide
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5-anilino-4,4-dimethyl-5-oxopentanoic acid
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(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
3-(3-aminopropylsulfanyl)-2,2-dimethyl-N-phenylpropanamide
CID 66218595
(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
CID 40544089
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439
3-(3-amino-2-methylpropyl)sulfanyl-2,2-dimethyl-N-phenylpropanamide
CID 66225218
N'-hydroxy-2,2-dimethyl-N-phenylpropanediamide
CID 90850690

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide?
The IUPAC name of ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide (CID 145483758) is ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide.
What is the SMILES notation for ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide?
The canonical SMILES for ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide is CC.CC.CSC(C)(C)CC(C)(C)C(=O)Nc1ccccc1.
What is the InChIKey of ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide?
The InChIKey is QJZYNCDNZOIZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS.2C2H6/c1-14(2,11-15(3,4)18-5)13(17)16-12-9-7-6-8-10-12;2*1-2/h6-10H,11H2,1-5H3,(H,16,17);2*1-2H3.
What are the key properties of ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide?
ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide has a molecular weight of 325.56 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,4-trimethyl-4-methylsulfanyl-N-phenylpentanamide is sourced from PubChem (CID 145483758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).