N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide

C19H28N2O2S — CID 23634889

IUPACN-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide
SMILESO=C(N[C@@H](CCCCCS)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyIKSCZYXAUUPGHW-KRWDZBQOSA-N
MW348.51 g/mol
LogP3.33
Rot. Bonds9

About N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide

N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide (PubChem CID 23634889) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide
PubChem CID23634889
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide
SMILESO=C(N[C@@H](CCCCCS)C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKeyIKSCZYXAUUPGHW-KRWDZBQOSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide (CID 23634889) is N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide is O=C(N[C@@H](CCCCCS)C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide?
The InChIKey is IKSCZYXAUUPGHW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide?
N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide has a molecular weight of 348.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-1-oxo-7-sulfanylheptan-2-yl]benzamide is sourced from PubChem (CID 23634889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).