N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C19H21Cl2N3O4S2 — CID 37351957

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C19H21Cl2N3O4S2/c1-23(12-16(25)22-19-14(20)5-4-6-15(19)21)17(26)11-13-7-8-18(29-13)30(27,28)24-9-2-3-10-24/h4-8H,2-3,9-12H2,1H3,(H,22,25)
InChIKeyQCOUVDUUDAHFQS-UHFFFAOYSA-N
MW490.43 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 37351957) has the molecular formula C19H21Cl2N3O4S2 and a molecular weight of 490.43 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID37351957
Molecular FormulaC19H21Cl2N3O4S2
Molecular Weight490.43 g/mol
Exact Mass489.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C19H21Cl2N3O4S2/c1-23(12-16(25)22-19-14(20)5-4-6-15(19)21)17(26)11-13-7-8-18(29-13)30(27,28)24-9-2-3-10-24/h4-8H,2-3,9-12H2,1H3,(H,22,25)
InChIKeyQCOUVDUUDAHFQS-UHFFFAOYSA-N
XLogP3.48
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 35535192
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47097885
2-[methyl-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]propanoic acid
CID 119208948
N-(3-hydroxyphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 78783462
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311
N-[3-[ethyl(methyl)amino]phenyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 60607705
N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 31801318
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55461169
N-(2-amino-2-methylpropyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119627872
N-[3-(hydroxymethyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 112766702
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-(3-methylsulfanylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 39754579

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 37351957) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is QCOUVDUUDAHFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S2/c1-23(12-16(25)22-19-14(20)5-4-6-15(19)21)17(26)11-13-7-8-18(29-13)30(27,28)24-9-2-3-10-24/h4-8H,2-3,9-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 490.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 37351957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).