N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide

C23H31NOS2 — CID 102039118

IUPACN-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide
SMILESO=C(CCCCCC(S)CS)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOS2/c25-23(15-9-3-8-14-21(27)18-26)24-17-16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-22,26-27H,3,8-9,14-18H2,(H,24,25)
InChIKeyLGVGZKRZMAPNKO-UHFFFAOYSA-N
MW401.64 g/mol
LogP5.50
Rot. Bonds12

About N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide

N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide (PubChem CID 102039118) has the molecular formula C23H31NOS2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide
PubChem CID102039118
Molecular FormulaC23H31NOS2
Molecular Weight401.64 g/mol
Exact Mass401.18
IUPAC NameN-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide
SMILESO=C(CCCCCC(S)CS)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NOS2/c25-23(15-9-3-8-14-21(27)18-26)24-17-16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-22,26-27H,3,8-9,14-18H2,(H,24,25)
InChIKeyLGVGZKRZMAPNKO-UHFFFAOYSA-N
XLogP5.50
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
4-chloro-N-(3-phenylbutyl)butanamide
CID 63308144
3,3-diphenylpropylurea;formic acid
CID 157477952
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
CID 4541760

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide (CID 102039118) is N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide is O=C(CCCCCC(S)CS)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide?
The InChIKey is LGVGZKRZMAPNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NOS2/c25-23(15-9-3-8-14-21(27)18-26)24-17-16-22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21-22,26-27H,3,8-9,14-18H2,(H,24,25).
What are the key properties of N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide?
N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide has a molecular weight of 401.64 g/mol, XLogP of 5.50, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-7,8-bis(sulfanyl)octanamide is sourced from PubChem (CID 102039118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).