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

C14H21ClN2OS — CID 43305446

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2OS/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(16)8-12(13)15/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyNHCLIHNXHKCNLX-UHFFFAOYSA-N
MW300.86 g/mol
LogP3.71
Rot. Bonds6

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

2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide (PubChem CID 43305446) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
PubChem CID43305446
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Sc1ccc(N)cc1Cl
InChIInChI=1S/C14H21ClN2OS/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(16)8-12(13)15/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyNHCLIHNXHKCNLX-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 53.71
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-propan-2-ylpropanamide
CID 43305454
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
2-(4-amino-2-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43305444
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 61360215
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
4-(4-amino-2-chlorophenyl)sulfanylpentanoic acid
CID 62214157
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 43303210
3-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626603
2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
2-(4-amino-2-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 43305442
[1-oxo-1-(pentan-2-ylamino)propan-2-yl] 4-amino-3-chlorobenzoate
CID 78997020

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide (CID 43305446) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Sc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
The InChIKey is NHCLIHNXHKCNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-4-5-9(2)17-14(18)10(3)19-13-7-6-11(16)8-12(13)15/h6-10H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide has a molecular weight of 300.86 g/mol, XLogP of 3.71, 6 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-pentan-2-ylpropanamide is sourced from PubChem (CID 43305446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).