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

C17H24N2OS — CID 11566318

IUPACN-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C17H24N2OS/c1-21-16-9-5-4-8-15(16)17(20)19(13-6-2-3-7-13)14-10-11-18-12-14/h4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyRQCXDPJNIVTCJD-AWEZNQCLSA-N
MW304.46 g/mol
LogP3.16
Rot. Bonds4

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

N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11566318) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11566318
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1
InChIInChI=1S/C17H24N2OS/c1-21-16-9-5-4-8-15(16)17(20)19(13-6-2-3-7-13)14-10-11-18-12-14/h4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1
InChIKeyRQCXDPJNIVTCJD-AWEZNQCLSA-N
XLogP3.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11566318) is N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide is CSc1ccccc1C(=O)N(C1CCCC1)[C@H]1CCNC1.
What is the InChIKey of N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is RQCXDPJNIVTCJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-21-16-9-5-4-8-15(16)17(20)19(13-6-2-3-7-13)14-10-11-18-12-14/h4-5,8-9,13-14,18H,2-3,6-7,10-12H2,1H3/t14-/m0/s1.
What are the key properties of N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 304.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methylsulfanyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11566318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).