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

C16H22N2O2S3 — CID 16933218

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCCCCC1)c1cccs1
InChIInChI=1S/C16H22N2O2S3/c19-23(20,16-6-5-10-22-16)17-12-15(14-7-11-21-13-14)18-8-3-1-2-4-9-18/h5-7,10-11,13,15,17H,1-4,8-9,12H2
InChIKeyFQPHEMDHEHXTMQ-UHFFFAOYSA-N
MW370.57 g/mol
LogP3.71
Rot. Bonds6

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

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (PubChem CID 16933218) has the molecular formula C16H22N2O2S3 and a molecular weight of 370.57 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
PubChem CID16933218
Molecular FormulaC16H22N2O2S3
Molecular Weight370.57 g/mol
Exact Mass370.08
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)N1CCCCCC1)c1cccs1
InChIInChI=1S/C16H22N2O2S3/c19-23(20,16-6-5-10-22-16)17-12-15(14-7-11-21-13-14)18-8-3-1-2-4-9-18/h5-7,10-11,13,15,17H,1-4,8-9,12H2
InChIKeyFQPHEMDHEHXTMQ-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide (CID 16933218) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide is O=S(=O)(NCC(c1ccsc1)N1CCCCCC1)c1cccs1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
The InChIKey is FQPHEMDHEHXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S3/c19-23(20,16-6-5-10-22-16)17-12-15(14-7-11-21-13-14)18-8-3-1-2-4-9-18/h5-7,10-11,13,15,17H,1-4,8-9,12H2.
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide has a molecular weight of 370.57 g/mol, XLogP of 3.71, 6 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]thiophene-2-sulfonamide is sourced from PubChem (CID 16933218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).