N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide

C18H26N2O2S3 — CID 16933255

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)s1
InChIInChI=1S/C18H26N2O2S3/c1-2-16-7-8-18(24-16)25(21,22)19-13-17(15-9-12-23-14-15)20-10-5-3-4-6-11-20/h7-9,12,14,17,19H,2-6,10-11,13H2,1H3
InChIKeyZUTLLGAMKCVTQZ-UHFFFAOYSA-N
MW398.62 g/mol
LogP4.27
Rot. Bonds7

About N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 16933255) has the molecular formula C18H26N2O2S3 and a molecular weight of 398.62 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID16933255
Molecular FormulaC18H26N2O2S3
Molecular Weight398.62 g/mol
Exact Mass398.12
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)s1
InChIInChI=1S/C18H26N2O2S3/c1-2-16-7-8-18(24-16)25(21,22)19-13-17(15-9-12-23-14-15)20-10-5-3-4-6-11-20/h7-9,12,14,17,19H,2-6,10-11,13H2,1H3
InChIKeyZUTLLGAMKCVTQZ-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606723
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
4-bromo-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932837
N-[(2S)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-fluorobenzenesulfonamide
CID 40863945
4-propan-2-yl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863323
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 16933225
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-chlorobenzenesulfonamide
CID 40863927
4-chloro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933039
5-chloro-2-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932884
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide (CID 16933255) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC(c2ccsc2)N2CCCCCC2)s1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is ZUTLLGAMKCVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S3/c1-2-16-7-8-18(24-16)25(21,22)19-13-17(15-9-12-23-14-15)20-10-5-3-4-6-11-20/h7-9,12,14,17,19H,2-6,10-11,13H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 398.62 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 16933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).