N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide

C21H36N2O3S — CID 113146233

IUPACN-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(C)CCNC(=O)CCN(c1c(C(C)C)cccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C21H36N2O3S/c1-15(2)11-13-22-20(24)12-14-23(27(7,25)26)21-18(16(3)4)9-8-10-19(21)17(5)6/h8-10,15-17H,11-14H2,1-7H3,(H,22,24)
InChIKeyLWFPZBCBMIQMMW-UHFFFAOYSA-N
MW396.60 g/mol
LogP4.25
Rot. Bonds10

About N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide

N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide (PubChem CID 113146233) has the molecular formula C21H36N2O3S and a molecular weight of 396.60 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
PubChem CID113146233
Molecular FormulaC21H36N2O3S
Molecular Weight396.60 g/mol
Exact Mass396.24
IUPAC NameN-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(C)CCNC(=O)CCN(c1c(C(C)C)cccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C21H36N2O3S/c1-15(2)11-13-22-20(24)12-14-23(27(7,25)26)21-18(16(3)4)9-8-10-19(21)17(5)6/h8-10,15-17H,11-14H2,1-7H3,(H,22,24)
InChIKeyLWFPZBCBMIQMMW-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
3-(3-acetamido-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113145483
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
methyl 2-[[3-(3-methylbutylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145571
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
CID 113156608
3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113146504
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
The IUPAC name of N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide (CID 113146233) is N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide is CC(C)CCNC(=O)CCN(c1c(C(C)C)cccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
The InChIKey is LWFPZBCBMIQMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O3S/c1-15(2)11-13-22-20(24)12-14-23(27(7,25)26)21-18(16(3)4)9-8-10-19(21)17(5)6/h8-10,15-17H,11-14H2,1-7H3,(H,22,24).
What are the key properties of N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide?
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide has a molecular weight of 396.60 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide is sourced from PubChem (CID 113146233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).