N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane

C19H34N2O4S — CID 162053844

IUPACN-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane
SMILESC.COc1cc(C(C)(C)C(C)(C)NC(=O)C(C)(C)NS(C)=O)ccc1O
InChIInChI=1S/C18H30N2O4S.CH4/c1-16(2,12-9-10-13(21)14(11-12)24-7)18(5,6)19-15(22)17(3,4)20-25(8)23;/h9-11,20-21H,1-8H3,(H,19,22);1H4
InChIKeyRHQAOSYSKVFQPN-UHFFFAOYSA-N
MW386.56 g/mol
LogP2.87
Rot. Bonds7

About N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane

N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane (PubChem CID 162053844) has the molecular formula C19H34N2O4S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane.

Molecular Properties

Compound NameN-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane
PubChem CID162053844
Molecular FormulaC19H34N2O4S
Molecular Weight386.56 g/mol
Exact Mass386.22
IUPAC NameN-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane
SMILESC.COc1cc(C(C)(C)C(C)(C)NC(=O)C(C)(C)NS(C)=O)ccc1O
InChIInChI=1S/C18H30N2O4S.CH4/c1-16(2,12-9-10-13(21)14(11-12)24-7)18(5,6)19-15(22)17(3,4)20-25(8)23;/h9-11,20-21H,1-8H3,(H,19,22);1H4
InChIKeyRHQAOSYSKVFQPN-UHFFFAOYSA-N
XLogP2.87
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-[2,3,3-tris(4-hydroxy-3-methoxyphenyl)butan-2-yl]phenol
CID 141133714
4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
2-(ethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanamide
CID 60787205
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
4-[2-(ethylamino)propan-2-yl]-2-methoxyphenol
CID 163597748
2,2-bis(4-hydroxy-3-methoxyphenyl)-3-oxobutanal;hydron
CID 174695330
4-[3-(4-hydroxy-3-methoxyphenyl)pentan-3-yl]-2-methoxyphenol
CID 118523796
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992391
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
CID 58389383
methyl 2-(2-azidoethylamino)-2-(4-hydroxy-3-methoxyphenyl)propanoate
CID 66190024
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 61210890

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane?
The IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane (CID 162053844) is N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane.
What is the SMILES notation for N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane?
The canonical SMILES for N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane is C.COc1cc(C(C)(C)C(C)(C)NC(=O)C(C)(C)NS(C)=O)ccc1O.
What is the InChIKey of N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane?
The InChIKey is RHQAOSYSKVFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S.CH4/c1-16(2,12-9-10-13(21)14(11-12)24-7)18(5,6)19-15(22)17(3,4)20-25(8)23;/h9-11,20-21H,1-8H3,(H,19,22);1H4.
What are the key properties of N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane?
N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane has a molecular weight of 386.56 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutan-2-yl]-2-(methanesulfinamido)-2-methylpropanamide;methane is sourced from PubChem (CID 162053844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).