2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide

C15H20BrNO2S — CID 55410424

IUPAC2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCCCOCC1CC1
InChIInChI=1S/C15H20BrNO2S/c16-13-4-6-14(7-5-13)20-11-15(18)17-8-1-9-19-10-12-2-3-12/h4-7,12H,1-3,8-11H2,(H,17,18)
InChIKeyKOWPAMPWTSTBRH-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.47
Rot. Bonds9

About 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide (PubChem CID 55410424) has the molecular formula C15H20BrNO2S and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
PubChem CID55410424
Molecular FormulaC15H20BrNO2S
Molecular Weight358.30 g/mol
Exact Mass357.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCCCOCC1CC1
InChIInChI=1S/C15H20BrNO2S/c16-13-4-6-14(7-5-13)20-11-15(18)17-8-1-9-19-10-12-2-3-12/h4-7,12H,1-3,8-11H2,(H,17,18)
InChIKeyKOWPAMPWTSTBRH-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55410137
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
CID 18120944
3-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 110902902
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 51287399
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
CID 83202861
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
4-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-carboxamide
CID 154795317
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 46541462

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide (CID 55410424) is 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide is O=C(CSc1ccc(Br)cc1)NCCCOCC1CC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The InChIKey is KOWPAMPWTSTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2S/c16-13-4-6-14(7-5-13)20-11-15(18)17-8-1-9-19-10-12-2-3-12/h4-7,12H,1-3,8-11H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide has a molecular weight of 358.30 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)propyl]acetamide is sourced from PubChem (CID 55410424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).