N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide

C19H22N2O3S — CID 55847557

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)25-17-9-3-14(4-10-17)19(23)21-15-5-7-16(8-6-15)24-12-11-18(20)22/h3-10,13H,11-12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyFBALPDGTZXUBDK-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.69
Rot. Bonds8

About N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide (PubChem CID 55847557) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
PubChem CID55847557
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-13(2)25-17-9-3-14(4-10-17)19(23)21-15-5-7-16(8-6-15)24-12-11-18(20)22/h3-10,13H,11-12H2,1-2H3,(H2,20,22)(H,21,23)
InChIKeyFBALPDGTZXUBDK-UHFFFAOYSA-N
XLogP3.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
CID 18587119
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromo-3-methylbutanamide
CID 43696967
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-[4-(3-amino-3-oxopropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 60975452
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
4-(4-oxopentoxy)-N-[4-[[4-(4-oxopentoxy)benzoyl]amino]phenyl]benzamide
CID 23520545
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide (CID 55847557) is N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide?
The InChIKey is FBALPDGTZXUBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13(2)25-17-9-3-14(4-10-17)19(23)21-15-5-7-16(8-6-15)24-12-11-18(20)22/h3-10,13H,11-12H2,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 55847557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).