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

C19H24N2OS — CID 16931885

IUPACN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c22-19(16-8-4-3-5-9-16)20-14-18(17-10-13-23-15-17)21-11-6-1-2-7-12-21/h3-5,8-10,13,15,18H,1-2,6-7,11-12,14H2,(H,20,22)
InChIKeyZYUBPXNFYCMCAA-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.10
Rot. Bonds5

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

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide (PubChem CID 16931885) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
PubChem CID16931885
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c22-19(16-8-4-3-5-9-16)20-14-18(17-10-13-23-15-17)21-11-6-1-2-7-12-21/h3-5,8-10,13,15,18H,1-2,6-7,11-12,14H2,(H,20,22)
InChIKeyZYUBPXNFYCMCAA-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[(2R)-2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3,4-difluorobenzamide
CID 51446250
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514
3,4-difluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931595
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide (CID 16931885) is N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide is O=C(NCC(c1ccsc1)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is ZYUBPXNFYCMCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c22-19(16-8-4-3-5-9-16)20-14-18(17-10-13-23-15-17)21-11-6-1-2-7-12-21/h3-5,8-10,13,15,18H,1-2,6-7,11-12,14H2,(H,20,22).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide?
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 16931885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).