N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide

C18H32N2O2S — CID 70938800

IUPACN-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
SMILESCCCCc1ccc(NCCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H32N2O2S/c1-5-6-9-16-10-12-17(13-11-16)19-14-7-8-15-20-23(21,22)18(2,3)4/h10-13,19-20H,5-9,14-15H2,1-4H3
InChIKeyFVZBXVUVJDLXRW-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.94
Rot. Bonds10

About N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide

N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide (PubChem CID 70938800) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
PubChem CID70938800
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC NameN-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
SMILESCCCCc1ccc(NCCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C18H32N2O2S/c1-5-6-9-16-10-12-17(13-11-16)19-14-7-8-15-20-23(21,22)18(2,3)4/h10-13,19-20H,5-9,14-15H2,1-4H3
InChIKeyFVZBXVUVJDLXRW-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.94
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

N-(4-butylphenyl)-5-(tert-butylsulfonylamino)pentanethioamide
CID 20630491
N-[[4-[(4-butylanilino)methyl]cyclohexyl]methyl]-2-methylpropane-2-sulfonamide
CID 59231468
N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
2-(4-butylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507571
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
5-(4-butylanilino)pentan-1-ol
CID 62228069
N-[5-[4-(2,5-dihydropyrrol-1-yl)anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70938875
N-[5-[4-[bis(2-hydroxyethyl)amino]anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939625
2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
CID 59230144
4-(2-chloroethyl)-N-pentylaniline
CID 65023933
4-butyl-N-[[4-[(tert-butylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 58145312
2-methyl-N-[5-[4-(4-methylpiperazin-1-yl)anilino]pentyl]propane-2-sulfonamide
CID 59230957

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide (CID 70938800) is N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide is CCCCc1ccc(NCCCCNS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide?
The InChIKey is FVZBXVUVJDLXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-5-6-9-16-10-12-17(13-11-16)19-14-7-8-15-20-23(21,22)18(2,3)4/h10-13,19-20H,5-9,14-15H2,1-4H3.
What are the key properties of N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide?
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide has a molecular weight of 340.53 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70938800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).