2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide

C17H22ClNO3S — CID 156608390

IUPAC2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCOCC1OCC1CC1
InChIInChI=1S/C17H22ClNO3S/c18-13-3-5-14(6-4-13)23-11-17(20)19-15-7-8-21-10-16(15)22-9-12-1-2-12/h3-6,12,15-16H,1-2,7-11H2,(H,19,20)
InChIKeyAMTZBNRNSLONGH-UHFFFAOYSA-N
MW355.89 g/mol
LogP3.13
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide (PubChem CID 156608390) has the molecular formula C17H22ClNO3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide
PubChem CID156608390
Molecular FormulaC17H22ClNO3S
Molecular Weight355.89 g/mol
Exact Mass355.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC1CCOCC1OCC1CC1
InChIInChI=1S/C17H22ClNO3S/c18-13-3-5-14(6-4-13)23-11-17(20)19-15-7-8-21-10-16(15)22-9-12-1-2-12/h3-6,12,15-16H,1-2,7-11H2,(H,19,20)
InChIKeyAMTZBNRNSLONGH-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23328186
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693415
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetamide
CID 91761499
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-3-(2,4-difluorophenyl)propanamide
CID 91767604
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 91787682
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-1-cyclopropylpyrrole-2-carboxamide
CID 91783338
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide (CID 156608390) is 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide is O=C(CSc1ccc(Cl)cc1)NC1CCOCC1OCC1CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide?
The InChIKey is AMTZBNRNSLONGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3S/c18-13-3-5-14(6-4-13)23-11-17(20)19-15-7-8-21-10-16(15)22-9-12-1-2-12/h3-6,12,15-16H,1-2,7-11H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide has a molecular weight of 355.89 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide is sourced from PubChem (CID 156608390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).