N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide

C23H28N4O5S — CID 66886042

IUPACN-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCN(Cc1ccccn1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)C1(O)C=CC=CC1C
InChIInChI=1S/C23H28N4O5S/c1-4-26(16-19-10-6-8-14-24-19)22(28)17-27(20-11-12-21(32-3)25-15-20)33(30,31)23(29)13-7-5-9-18(23)2/h5-15,18,29H,4,16-17H2,1-3H3
InChIKeyAQBIUWONPDCCIZ-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.12
Rot. Bonds9

About N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide

N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 66886042) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID66886042
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCN(Cc1ccccn1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)C1(O)C=CC=CC1C
InChIInChI=1S/C23H28N4O5S/c1-4-26(16-19-10-6-8-14-24-19)22(28)17-27(20-11-12-21(32-3)25-15-20)33(30,31)23(29)13-7-5-9-18(23)2/h5-15,18,29H,4,16-17H2,1-3H3
InChIKeyAQBIUWONPDCCIZ-UHFFFAOYSA-N
XLogP2.12
TPSA112.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-ethyl-2-[(6-(111C)methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 71624633
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
2-methyl-3-[propanoyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82323327
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
3-[[2-(diethylamino)-2-oxoethyl]-(pyridin-2-ylmethyl)amino]propanoic acid
CID 82327071
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
2-methoxy-N-[6-(4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 42691302
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide (CID 66886042) is N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide is CCN(Cc1ccccn1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)C1(O)C=CC=CC1C.
What is the InChIKey of N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AQBIUWONPDCCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-4-26(16-19-10-6-8-14-24-19)22(28)17-27(20-11-12-21(32-3)25-15-20)33(30,31)23(29)13-7-5-9-18(23)2/h5-15,18,29H,4,16-17H2,1-3H3.
What are the key properties of N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 472.57 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)sulfonyl-(6-methoxy-3-pyridinyl)amino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 66886042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).