cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide

C25H33N3O6S — CID 142075206

IUPACcis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide
SMILESCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(N)=O)C[C@@H](O)[C@@H](O)C4)CC3)cc2C)n1
InChIInChI=1S/C25H33N3O6S/c1-3-34-23-6-4-5-20(27-23)19-8-7-18(13-16(19)2)17-9-11-28(12-10-17)35(32,33)25(24(26)31)14-21(29)22(30)15-25/h4-8,13,17,21-22,29-30H,3,9-12,14-15H2,1-2H3,(H2,26,31)/t21-,22+,25?
InChIKeyZCSFNVGXYOPFIS-OFFJZUQKSA-N
MW503.62 g/mol
LogP1.70
Rot. Bonds7

About cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide

cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide (PubChem CID 142075206) has the molecular formula C25H33N3O6S and a molecular weight of 503.62 g/mol. Its IUPAC name is cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide
PubChem CID142075206
Molecular FormulaC25H33N3O6S
Molecular Weight503.62 g/mol
Exact Mass503.21
IUPAC Namecis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide
SMILESCCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(N)=O)C[C@@H](O)[C@@H](O)C4)CC3)cc2C)n1
InChIInChI=1S/C25H33N3O6S/c1-3-34-23-6-4-5-20(27-23)19-8-7-18(13-16(19)2)17-9-11-28(12-10-17)35(32,33)25(24(26)31)14-21(29)22(30)15-25/h4-8,13,17,21-22,29-30H,3,9-12,14-15H2,1-2H3,(H2,26,31)/t21-,22+,25?
InChIKeyZCSFNVGXYOPFIS-OFFJZUQKSA-N
XLogP1.70
TPSA143.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide?
The IUPAC name of cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide (CID 142075206) is cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide is CCOc1cccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(N)=O)C[C@@H](O)[C@@H](O)C4)CC3)cc2C)n1.
What is the InChIKey of cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide?
The InChIKey is ZCSFNVGXYOPFIS-OFFJZUQKSA-N. The full InChI is InChI=1S/C25H33N3O6S/c1-3-34-23-6-4-5-20(27-23)19-8-7-18(13-16(19)2)17-9-11-28(12-10-17)35(32,33)25(24(26)31)14-21(29)22(30)15-25/h4-8,13,17,21-22,29-30H,3,9-12,14-15H2,1-2H3,(H2,26,31)/t21-,22+,25?.
What are the key properties of cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide?
cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide has a molecular weight of 503.62 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-1-[4-[4-(6-ethoxy-2-pyridinyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-3,4-dihydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 142075206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).