N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide

C18H26N2OS — CID 11638962

IUPACN-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1
InChIKeyWXQUVTDLXMNHNT-HNNXBMFYSA-N
MW318.49 g/mol
LogP3.40
Rot. Bonds6

About N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide

N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11638962) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11638962
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1
InChIKeyWXQUVTDLXMNHNT-HNNXBMFYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11638962) is N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide is CCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is WXQUVTDLXMNHNT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-2-22-17-9-4-3-8-16(17)18(21)20(13-14-6-5-7-14)15-10-11-19-12-15/h3-4,8-9,14-15,19H,2,5-7,10-13H2,1H3/t15-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 318.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-ethylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11638962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).