N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C22H28N2O3S — CID 28569285

IUPACN-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-2-21(19-9-5-3-6-10-19)23-22(25)20-13-11-18(12-14-20)17-28(26,27)24-15-7-4-8-16-24/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeySNKZFJQDFJGXNB-NRFANRHFSA-N
MW400.54 g/mol
LogP3.88
Rot. Bonds7

About N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 28569285) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID28569285
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-2-21(19-9-5-3-6-10-19)23-22(25)20-13-11-18(12-14-20)17-28(26,27)24-15-7-4-8-16-24/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeySNKZFJQDFJGXNB-NRFANRHFSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylpropyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43875835
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969618
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 93486857
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370
N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 93487370
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
4-(azepan-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94024816
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 28569285) is N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is SNKZFJQDFJGXNB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-2-21(19-9-5-3-6-10-19)23-22(25)20-13-11-18(12-14-20)17-28(26,27)24-15-7-4-8-16-24/h3,5-6,9-14,21H,2,4,7-8,15-17H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 400.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 28569285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).