3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide

C19H30N2O3S — CID 55924139

IUPAC3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCCCSC(C)C(=O)Nc1cccc(C(=O)NCCCOCC)c1
InChIInChI=1S/C19H30N2O3S/c1-4-6-13-25-15(3)18(22)21-17-10-7-9-16(14-17)19(23)20-11-8-12-24-5-2/h7,9-10,14-15H,4-6,8,11-13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBAUYXYZYGXSFAV-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.70
Rot. Bonds12

About 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide

3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide (PubChem CID 55924139) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
PubChem CID55924139
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCCCSC(C)C(=O)Nc1cccc(C(=O)NCCCOCC)c1
InChIInChI=1S/C19H30N2O3S/c1-4-6-13-25-15(3)18(22)21-17-10-7-9-16(14-17)19(23)20-11-8-12-24-5-2/h7,9-10,14-15H,4-6,8,11-13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyBAUYXYZYGXSFAV-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
N-(3-ethoxypropyl)-3-[2-(4-ethylphenyl)propanoylamino]benzamide
CID 166187815
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
2-chloro-N-[1-[3-(3-ethoxypropylcarbamoyl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55973390
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
CID 17196958

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide (CID 55924139) is 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide is CCCCSC(C)C(=O)Nc1cccc(C(=O)NCCCOCC)c1.
What is the InChIKey of 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide?
The InChIKey is BAUYXYZYGXSFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-6-13-25-15(3)18(22)21-17-10-7-9-16(14-17)19(23)20-11-8-12-24-5-2/h7,9-10,14-15H,4-6,8,11-13H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide?
3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide has a molecular weight of 366.53 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylsulfanylpropanoylamino)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 55924139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).