N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C17H20Cl2N2O3S2 — CID 24596037

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(NC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O3S2/c1-12(13-7-8-14(18)15(19)11-13)20-16(22)5-3-9-21(2)26(23,24)17-6-4-10-25-17/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,22)
InChIKeyFUXQDKNBLJVQAK-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.33
Rot. Bonds8

About N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 24596037) has the molecular formula C17H20Cl2N2O3S2 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID24596037
Molecular FormulaC17H20Cl2N2O3S2
Molecular Weight435.40 g/mol
Exact Mass434.03
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(NC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N2O3S2/c1-12(13-7-8-14(18)15(19)11-13)20-16(22)5-3-9-21(2)26(23,24)17-6-4-10-25-17/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,22)
InChIKeyFUXQDKNBLJVQAK-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24607037
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 134011784
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855895
N-[1-(3-chlorophenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 18145083
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297
N-[1-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46806846

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 24596037) is N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is CC(NC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is FUXQDKNBLJVQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3S2/c1-12(13-7-8-14(18)15(19)11-13)20-16(22)5-3-9-21(2)26(23,24)17-6-4-10-25-17/h4,6-8,10-12H,3,5,9H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 435.40 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 24596037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).