N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide

C16H18ClNO3S2 — CID 22581589

IUPACN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide
SMILESCCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S2/c1-2-4-16(19)18-11-15(14-5-3-10-22-14)23(20,21)13-8-6-12(17)7-9-13/h3,5-10,15H,2,4,11H2,1H3,(H,18,19)
InChIKeyDNHNFHSXAVBJAA-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide

N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide (PubChem CID 22581589) has the molecular formula C16H18ClNO3S2 and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide
PubChem CID22581589
Molecular FormulaC16H18ClNO3S2
Molecular Weight371.91 g/mol
Exact Mass371.04
IUPAC NameN-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide
SMILESCCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S2/c1-2-4-16(19)18-11-15(14-5-3-10-22-14)23(20,21)13-8-6-12(17)7-9-13/h3,5-10,15H,2,4,11H2,1H3,(H,18,19)
InChIKeyDNHNFHSXAVBJAA-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide (CID 22581589) is N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide is CCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide?
The InChIKey is DNHNFHSXAVBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S2/c1-2-4-16(19)18-11-15(14-5-3-10-22-14)23(20,21)13-8-6-12(17)7-9-13/h3,5-10,15H,2,4,11H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide?
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide has a molecular weight of 371.91 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]butanamide is sourced from PubChem (CID 22581589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).