2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide

C18H24N4OS — CID 156652937

IUPAC2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide
SMILESCC(C)(C)NSc1ccc(NC(=O)C(N)Cc2ccccn2)cc1
InChIInChI=1S/C18H24N4OS/c1-18(2,3)22-24-15-9-7-13(8-10-15)21-17(23)16(19)12-14-6-4-5-11-20-14/h4-11,16,22H,12,19H2,1-3H3,(H,21,23)
InChIKeySBIYZCIUZHUAKV-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.99
Rot. Bonds6

About 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide

2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide (PubChem CID 156652937) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide
PubChem CID156652937
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide
SMILESCC(C)(C)NSc1ccc(NC(=O)C(N)Cc2ccccn2)cc1
InChIInChI=1S/C18H24N4OS/c1-18(2,3)22-24-15-9-7-13(8-10-15)21-17(23)16(19)12-14-6-4-5-11-20-14/h4-11,16,22H,12,19H2,1-3H3,(H,21,23)
InChIKeySBIYZCIUZHUAKV-UHFFFAOYSA-N
XLogP2.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
2-amino-N',N'-dimethyl-3-pyridin-2-ylpropanehydrazide;hydrochloride
CID 67279388
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2S)-2-amino-N-(4-tert-butylphenyl)-3-phenylpropanamide
CID 22691217
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(4-tert-butylphenyl)propanamide;dihydrochloride
CID 119671563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide (CID 156652937) is 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide is CC(C)(C)NSc1ccc(NC(=O)C(N)Cc2ccccn2)cc1.
What is the InChIKey of 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is SBIYZCIUZHUAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-18(2,3)22-24-15-9-7-13(8-10-15)21-17(23)16(19)12-14-6-4-5-11-20-14/h4-11,16,22H,12,19H2,1-3H3,(H,21,23).
What are the key properties of 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide?
2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 344.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(tert-butylamino)sulfanylphenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 156652937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).