2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide

C20H34N2O3S — CID 113156608

IUPAC2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1c(C(C)C)cccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C20H34N2O3S/c1-7-8-9-13-21-19(23)14-22(26(6,24)25)20-17(15(2)3)11-10-12-18(20)16(4)5/h10-12,15-16H,7-9,13-14H2,1-6H3,(H,21,23)
InChIKeyRJWARJTVMKHODU-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.01
Rot. Bonds10

About 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide

2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide (PubChem CID 113156608) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
PubChem CID113156608
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC Name2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1c(C(C)C)cccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C20H34N2O3S/c1-7-8-9-13-21-19(23)14-22(26(6,24)25)20-17(15(2)3)11-10-12-18(20)16(4)5/h10-12,15-16H,7-9,13-14H2,1-6H3,(H,21,23)
InChIKeyRJWARJTVMKHODU-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
CID 113156587
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
N-butyl-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 126130247
3-(2,6-dichloro-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113146595
N-butyl-2-(N-methylsulfonyl-2-propan-2-yloxyanilino)acetamide
CID 113155322
2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
CID 113147725
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
N-pentyl-2-(2-propan-2-ylanilino)acetamide
CID 109006037
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
N-[3-(2-methoxyphenyl)propyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30277429

Frequently Asked Questions

What is the IUPAC name of 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide?
The IUPAC name of 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide (CID 113156608) is 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide.
What is the SMILES notation for 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide?
The canonical SMILES for 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide is CCCCCNC(=O)CN(c1c(C(C)C)cccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide?
The InChIKey is RJWARJTVMKHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-7-8-9-13-21-19(23)14-22(26(6,24)25)20-17(15(2)3)11-10-12-18(20)16(4)5/h10-12,15-16H,7-9,13-14H2,1-6H3,(H,21,23).
What are the key properties of 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide?
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide has a molecular weight of 382.57 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide is sourced from PubChem (CID 113156608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).