N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide

C20H24N2OS — CID 42962435

IUPACN-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCSCC1
InChIInChI=1S/C20H24N2OS/c1-16(22-12-7-14-24-15-13-22)20(23)21-19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,21,23)
InChIKeyUZNRHTDNDSIBGP-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.12
Rot. Bonds4

About N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide

N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide (PubChem CID 42962435) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
PubChem CID42962435
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCSCC1
InChIInChI=1S/C20H24N2OS/c1-16(22-12-7-14-24-15-13-22)20(23)21-19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,21,23)
InChIKeyUZNRHTDNDSIBGP-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
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(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
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N-(3-amino-2-methylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
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2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 46551877
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
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(3S,4S)-4-methyl-1-[1-oxo-1-(2-phenylanilino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 122120956
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-phenylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide?
The IUPAC name of N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide (CID 42962435) is N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide?
The canonical SMILES for N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide is CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCSCC1.
What is the InChIKey of N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide?
The InChIKey is UZNRHTDNDSIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16(22-12-7-14-24-15-13-22)20(23)21-19-11-6-5-10-18(19)17-8-3-2-4-9-17/h2-6,8-11,16H,7,12-15H2,1H3,(H,21,23).
What are the key properties of N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide?
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide has a molecular weight of 340.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide is sourced from PubChem (CID 42962435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).