N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide

C14H22ClN3OS — CID 115985453

IUPACN-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
SMILESCSCC(C)N(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H22ClN3OS/c1-9(8-20-4)18(3)10(2)14(19)17-11-5-6-12(15)13(16)7-11/h5-7,9-10H,8,16H2,1-4H3,(H,17,19)
InChIKeySWBRUOPYTRLJPS-UHFFFAOYSA-N
MW315.87 g/mol
LogP2.93
Rot. Bonds6

About N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide

N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide (PubChem CID 115985453) has the molecular formula C14H22ClN3OS and a molecular weight of 315.87 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
PubChem CID115985453
Molecular FormulaC14H22ClN3OS
Molecular Weight315.87 g/mol
Exact Mass315.12
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
SMILESCSCC(C)N(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C14H22ClN3OS/c1-9(8-20-4)18(3)10(2)14(19)17-11-5-6-12(15)13(16)7-11/h5-7,9-10H,8,16H2,1-4H3,(H,17,19)
InChIKeySWBRUOPYTRLJPS-UHFFFAOYSA-N
XLogP2.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985399
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985375
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide (CID 115985453) is N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide is CSCC(C)N(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
The InChIKey is SWBRUOPYTRLJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3OS/c1-9(8-20-4)18(3)10(2)14(19)17-11-5-6-12(15)13(16)7-11/h5-7,9-10H,8,16H2,1-4H3,(H,17,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide has a molecular weight of 315.87 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide is sourced from PubChem (CID 115985453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).