3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide

C18H29NO3S — CID 110415591

IUPAC3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO3S/c1-14(2)10-12-19-17(20)11-13-23(21,22)16-8-6-15(7-9-16)18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,20)
InChIKeyOTPZSENTCCQLAD-UHFFFAOYSA-N
MW339.50 g/mol
LogP3.31
Rot. Bonds7

About 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide

3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide (PubChem CID 110415591) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
PubChem CID110415591
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO3S/c1-14(2)10-12-19-17(20)11-13-23(21,22)16-8-6-15(7-9-16)18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,20)
InChIKeyOTPZSENTCCQLAD-UHFFFAOYSA-N
XLogP3.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110614832
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
3-(3-chlorophenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415612
3-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 110410220
(2S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylsulfanylpropanamide
CID 95305165
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
CID 56603857
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
3-(4-tert-butylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide
CID 110410639
N-(3-methylbutyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanamide
CID 22551362
(2S,3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]-2-hydroxy-3-methylpentanamide
CID 167764822

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide (CID 110415591) is 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide?
The InChIKey is OTPZSENTCCQLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-14(2)10-12-19-17(20)11-13-23(21,22)16-8-6-15(7-9-16)18(3,4)5/h6-9,14H,10-13H2,1-5H3,(H,19,20).
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide?
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide has a molecular weight of 339.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 110415591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).