N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide

C14H21NO2S — CID 71879808

IUPACN-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCSC(C)(C)C)c1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-9-8-15-13(16)11-6-5-7-12(10-11)17-4/h5-7,10H,8-9H2,1-4H3,(H,15,16)
InChIKeyAMSRDUBMLNTGID-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.96
Rot. Bonds5

About N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide

N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide (PubChem CID 71879808) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
PubChem CID71879808
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCSC(C)(C)C)c1
InChIInChI=1S/C14H21NO2S/c1-14(2,3)18-9-8-15-13(16)11-6-5-7-12(10-11)17-4/h5-7,10H,8-9H2,1-4H3,(H,15,16)
InChIKeyAMSRDUBMLNTGID-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.96
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

3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-methoxy-N-tridecylbenzamide
CID 139819898
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-[3-(4-nitroanilino)propyl]benzamide
CID 585373
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide (CID 71879808) is N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide is COc1cccc(C(=O)NCCSC(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide?
The InChIKey is AMSRDUBMLNTGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,3)18-9-8-15-13(16)11-6-5-7-12(10-11)17-4/h5-7,10H,8-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide?
N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide has a molecular weight of 267.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide is sourced from PubChem (CID 71879808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).