2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide

C12H17ClN2OS — CID 43305454

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Sc1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-7(2)15-12(16)8(3)17-11-5-4-9(14)6-10(11)13/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyDIARDKVEIMFPHE-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide (PubChem CID 43305454) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
PubChem CID43305454
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Sc1ccc(N)cc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-7(2)15-12(16)8(3)17-11-5-4-9(14)6-10(11)13/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyDIARDKVEIMFPHE-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 43305446
2-(4-amino-2-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43305444
2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 43305442
3-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626603
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
2-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
4-(4-amino-2-chlorophenyl)sulfanylpentanoic acid
CID 62214157
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide (CID 43305454) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Sc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide?
The InChIKey is DIARDKVEIMFPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-7(2)15-12(16)8(3)17-11-5-4-9(14)6-10(11)13/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide has a molecular weight of 272.80 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 43305454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).