N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide

C22H30N4O3S — CID 18649576

IUPACN-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(Cc2nccc3[nH]c(C)nc23)cc1)[C@@H](C)CC
InChIInChI=1S/C22H30N4O3S/c1-5-15(3)21(14-29-6-2)26-30(27,28)18-9-7-17(8-10-18)13-20-22-19(11-12-23-20)24-16(4)25-22/h7-12,15,21,26H,5-6,13-14H2,1-4H3,(H,24,25)/t15-,21?/m0/s1
InChIKeyQNRHSCBIJKOIKY-ZDGMYTEDSA-N
MW430.57 g/mol
LogP3.59
Rot. Bonds10

About N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide

N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide (PubChem CID 18649576) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
PubChem CID18649576
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
SMILESCCOCC(NS(=O)(=O)c1ccc(Cc2nccc3[nH]c(C)nc23)cc1)[C@@H](C)CC
InChIInChI=1S/C22H30N4O3S/c1-5-15(3)21(14-29-6-2)26-30(27,28)18-9-7-17(8-10-18)13-20-22-19(11-12-23-20)24-16(4)25-22/h7-12,15,21,26H,5-6,13-14H2,1-4H3,(H,24,25)/t15-,21?/m0/s1
InChIKeyQNRHSCBIJKOIKY-ZDGMYTEDSA-N
XLogP3.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide 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-ethoxyethyl (2S)-4-methyl-2-[[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]pentanoate
CID 18650986
4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
CID 67624724
tert-butyl (2S)-2-[methyl-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]propanoate
CID 57004123
[(2S)-4-methyl-2-[[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonyl-propylamino]pentyl] acetate
CID 22861068
N-[1-(2-methoxy-3-pyridinyl)-3-methylbutyl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
CID 22408337
methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate
CID 54187380
[(2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentyl] sulfate;hydron
CID 87650139
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
ethyl (2S)-4-methyl-2-[5-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)pentanoylamino]pentanoate
CID 67835969
4-[(2-methyl-1H-imidazol-5-yl)methyl]-N-(2-methyl-4-oxopentan-3-yl)benzenesulfonamide
CID 54121501
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957316

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide (CID 18649576) is N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide is CCOCC(NS(=O)(=O)c1ccc(Cc2nccc3[nH]c(C)nc23)cc1)[C@@H](C)CC.
What is the InChIKey of N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide?
The InChIKey is QNRHSCBIJKOIKY-ZDGMYTEDSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-5-15(3)21(14-29-6-2)26-30(27,28)18-9-7-17(8-10-18)13-20-22-19(11-12-23-20)24-16(4)25-22/h7-12,15,21,26H,5-6,13-14H2,1-4H3,(H,24,25)/t15-,21?/m0/s1.
What are the key properties of N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide?
N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethoxy-3-methylpentan-2-yl]-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 18649576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).