N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide

C21H29N3O4S — CID 58978392

IUPACN,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide
SMILESCCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C(C)C)cn1
InChIInChI=1S/C21H29N3O4S/c1-6-23(7-2)21(25)15-24(18-10-8-9-11-19(18)28-5)29(26,27)20-13-12-17(14-22-20)16(3)4/h8-14,16H,6-7,15H2,1-5H3
InChIKeyUWLBNYPEEPZTKK-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.28
Rot. Bonds9

About N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide

N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide (PubChem CID 58978392) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide
PubChem CID58978392
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide
SMILESCCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C(C)C)cn1
InChIInChI=1S/C21H29N3O4S/c1-6-23(7-2)21(25)15-24(18-10-8-9-11-19(18)28-5)29(26,27)20-13-12-17(14-22-20)16(3)4/h8-14,16H,6-7,15H2,1-5H3
InChIKeyUWLBNYPEEPZTKK-UHFFFAOYSA-N
XLogP3.28
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 10074554
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid
CID 95529086
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-methyl-N-phenylacetamide
CID 30232749
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-benzylamino]-N-[(2S)-butan-2-yl]butanamide
CID 100643302

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide?
The IUPAC name of N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide (CID 58978392) is N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide is CCN(CC)C(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C(C)C)cn1.
What is the InChIKey of N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide?
The InChIKey is UWLBNYPEEPZTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-6-23(7-2)21(25)15-24(18-10-8-9-11-19(18)28-5)29(26,27)20-13-12-17(14-22-20)16(3)4/h8-14,16H,6-7,15H2,1-5H3.
What are the key properties of N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide?
N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-methoxy-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]anilino]acetamide is sourced from PubChem (CID 58978392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).