2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide

C15H21ClN2O2S — CID 106612857

IUPAC2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)N(CCO)CC2CCCN2)c1
InChIInChI=1S/C15H21ClN2O2S/c1-21-12-4-5-14(16)13(9-12)15(20)18(7-8-19)10-11-3-2-6-17-11/h4-5,9,11,17,19H,2-3,6-8,10H2,1H3
InChIKeyCJYKTRSCYVWLRA-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.25
Rot. Bonds6

About 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide

2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106612857) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106612857
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)N(CCO)CC2CCCN2)c1
InChIInChI=1S/C15H21ClN2O2S/c1-21-12-4-5-14(16)13(9-12)15(20)18(7-8-19)10-11-3-2-6-17-11/h4-5,9,11,17,19H,2-3,6-8,10H2,1H3
InChIKeyCJYKTRSCYVWLRA-UHFFFAOYSA-N
XLogP2.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793714
2-chloro-5-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611521
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732251
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-1H-indole-3-carboxamide
CID 106612620
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106613059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106612857) is 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide is CSc1ccc(Cl)c(C(=O)N(CCO)CC2CCCN2)c1.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is CJYKTRSCYVWLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-21-12-4-5-14(16)13(9-12)15(20)18(7-8-19)10-11-3-2-6-17-11/h4-5,9,11,17,19H,2-3,6-8,10H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide?
2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 328.87 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-5-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106612857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).