1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide

C20H28N2O4S — CID 91089135

IUPAC1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide
SMILESCCC(Cc1cc(OC)c(C(C)(C)C)cc1-c1ccc[nH]c1=O)S(N)(=O)=O
InChIInChI=1S/C20H28N2O4S/c1-6-14(27(21,24)25)10-13-11-18(26-5)17(20(2,3)4)12-16(13)15-8-7-9-22-19(15)23/h7-9,11-12,14H,6,10H2,1-5H3,(H,22,23)(H2,21,24,25)
InChIKeyPIHHCTMNVOTXCP-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.96
Rot. Bonds6

About 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide

1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide (PubChem CID 91089135) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide.

Molecular Properties

Compound Name1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide
PubChem CID91089135
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide
SMILESCCC(Cc1cc(OC)c(C(C)(C)C)cc1-c1ccc[nH]c1=O)S(N)(=O)=O
InChIInChI=1S/C20H28N2O4S/c1-6-14(27(21,24)25)10-13-11-18(26-5)17(20(2,3)4)12-16(13)15-8-7-9-22-19(15)23/h7-9,11-12,14H,6,10H2,1-5H3,(H,22,23)(H2,21,24,25)
InChIKeyPIHHCTMNVOTXCP-UHFFFAOYSA-N
XLogP2.96
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]methyl]-N-(cyclobutylmethyl)propane-2-sulfonamide
CID 46194093
3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]-2-[4-(methanesulfonamido)phenyl]propanamide
CID 67070103
7-tert-butyl-6-methoxy-2H-isoquinolin-1-one
CID 82276331
1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
CID 59309470
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
N-[(S)-[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)quinolin-3-yl]-pyrrolidin-3-ylmethyl]methanesulfonamide
CID 67412658
2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide
CID 67378993
N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
CID 110788400
3-[3-(4-ethylphenyl)-5-methoxy-6-methylquinolin-8-yl]-1H-pyridin-2-one
CID 91173775
2-(4-tert-butyl-2,5-dimethoxyphenyl)acetonitrile
CID 117338385

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide?
The IUPAC name of 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide (CID 91089135) is 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide.
What is the SMILES notation for 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide?
The canonical SMILES for 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide is CCC(Cc1cc(OC)c(C(C)(C)C)cc1-c1ccc[nH]c1=O)S(N)(=O)=O.
What is the InChIKey of 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide?
The InChIKey is PIHHCTMNVOTXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-6-14(27(21,24)25)10-13-11-18(26-5)17(20(2,3)4)12-16(13)15-8-7-9-22-19(15)23/h7-9,11-12,14H,6,10H2,1-5H3,(H,22,23)(H2,21,24,25).
What are the key properties of 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide?
1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide has a molecular weight of 392.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]butane-2-sulfonamide is sourced from PubChem (CID 91089135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).