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

C17H24N2OS — CID 11566316

IUPACN-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C17H24N2OS/c1-21-16-8-3-2-7-15(16)17(20)19(12-13-5-4-6-13)14-9-10-18-11-14/h2-3,7-8,13-14,18H,4-6,9-12H2,1H3/t14-/m0/s1
InChIKeyMQFMYYCALRUDSV-AWEZNQCLSA-N
MW304.46 g/mol
LogP3.01
Rot. Bonds5

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

N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11566316) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11566316
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C17H24N2OS/c1-21-16-8-3-2-7-15(16)17(20)19(12-13-5-4-6-13)14-9-10-18-11-14/h2-3,7-8,13-14,18H,4-6,9-12H2,1H3/t14-/m0/s1
InChIKeyMQFMYYCALRUDSV-AWEZNQCLSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11566316) is N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide is CSc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is MQFMYYCALRUDSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-21-16-8-3-2-7-15(16)17(20)19(12-13-5-4-6-13)14-9-10-18-11-14/h2-3,7-8,13-14,18H,4-6,9-12H2,1H3/t14-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 304.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11566316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).