N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

C19H32N2O4S2 — CID 46652731

IUPACN-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCCCCOCCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H32N2O4S2/c1-4-5-13-25-14-6-12-20-19(22)18(11-15-26-3)21-27(23,24)17-9-7-16(2)8-10-17/h7-10,18,21H,4-6,11-15H2,1-3H3,(H,20,22)
InChIKeyMTAOWGUOPCLOQV-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.72
Rot. Bonds14

About N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 46652731) has the molecular formula C19H32N2O4S2 and a molecular weight of 416.61 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID46652731
Molecular FormulaC19H32N2O4S2
Molecular Weight416.61 g/mol
Exact Mass416.18
IUPAC NameN-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCCCCOCCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H32N2O4S2/c1-4-5-13-25-14-6-12-20-19(22)18(11-15-26-3)21-27(23,24)17-9-7-16(2)8-10-17/h7-10,18,21H,4-6,11-15H2,1-3H3,(H,20,22)
InChIKeyMTAOWGUOPCLOQV-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-pentylbutanamide
CID 43002628
propan-2-yl 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3569774
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
N-[4-(4-chloroanilino)-4-oxobutyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55863608
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(4-methylphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 24681326
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 46532913
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 24551133
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46673518
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(4-fluorophenoxy)butyl]-4-methylsulfanylbutanamide
CID 43060845
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
(2S)-N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 96509272

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 46652731) is N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is CCCCOCCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is MTAOWGUOPCLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S2/c1-4-5-13-25-14-6-12-20-19(22)18(11-15-26-3)21-27(23,24)17-9-7-16(2)8-10-17/h7-10,18,21H,4-6,11-15H2,1-3H3,(H,20,22).
What are the key properties of N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 416.61 g/mol, XLogP of 2.72, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 46652731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).