2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

C17H25NO2S — CID 134052775

IUPAC2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CSC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C17H25NO2S/c1-17(2,3)21-12-16(19)18(14-7-8-14)11-13-5-9-15(20-4)10-6-13/h5-6,9-10,14H,7-8,11-12H2,1-4H3
InChIKeyRVOLGKMOUUOKGT-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.72
Rot. Bonds6

About 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide

2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 134052775) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID134052775
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CSC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C17H25NO2S/c1-17(2,3)21-12-16(19)18(14-7-8-14)11-13-5-9-15(20-4)10-6-13/h5-6,9-10,14H,7-8,11-12H2,1-4H3
InChIKeyRVOLGKMOUUOKGT-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
2-(4-acetamidophenyl)sulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 51206705
N-cyclopropyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 18144168
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
N-tert-butyl-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8768593
N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75462168
2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9298853
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86907274

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 134052775) is 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CSC(C)(C)C)C2CC2)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is RVOLGKMOUUOKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-17(2,3)21-12-16(19)18(14-7-8-14)11-13-5-9-15(20-4)10-6-13/h5-6,9-10,14H,7-8,11-12H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 307.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 134052775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).