N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

C20H27N3O3S2 — CID 60607705

IUPACN-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(C)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C20H27N3O3S2/c1-3-22(2)17-9-7-8-16(14-17)21-19(24)15-18-10-11-20(27-18)28(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,21,24)
InChIKeyHHIRTQMCDPVOKS-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.56
Rot. Bonds7

About N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 60607705) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID60607705
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCCN(C)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C20H27N3O3S2/c1-3-22(2)17-9-7-8-16(14-17)21-19(24)15-18-10-11-20(27-18)28(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,21,24)
InChIKeyHHIRTQMCDPVOKS-UHFFFAOYSA-N
XLogP3.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26087846
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 32581307
N-[3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 46553189
tert-butyl N-methyl-N-[[3-[[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]phenyl]methyl]carbamate
CID 55930910
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 3997101
N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36672065
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55836799
N-(6-amino-3-pyridinyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119515991

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 60607705) is N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is CCN(C)c1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is HHIRTQMCDPVOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-3-22(2)17-9-7-8-16(14-17)21-19(24)15-18-10-11-20(27-18)28(25,26)23-12-5-4-6-13-23/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 421.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 60607705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).