N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide

C24H31FN2O2S — CID 132711567

IUPACN-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)CSCc1ccccc1F)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C24H31FN2O2S/c1-17-10-6-7-11-19(17)14-27(18(2)23(29)26-24(3,4)5)22(28)16-30-15-20-12-8-9-13-21(20)25/h6-13,18H,14-16H2,1-5H3,(H,26,29)
InChIKeyQKSQXRGKAVGVRL-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.70
Rot. Bonds8

About N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide

N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132711567) has the molecular formula C24H31FN2O2S and a molecular weight of 430.59 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID132711567
Molecular FormulaC24H31FN2O2S
Molecular Weight430.59 g/mol
Exact Mass430.21
IUPAC NameN-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCc1ccccc1CN(C(=O)CSCc1ccccc1F)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C24H31FN2O2S/c1-17-10-6-7-11-19(17)14-27(18(2)23(29)26-24(3,4)5)22(28)16-30-15-20-12-8-9-13-21(20)25/h6-13,18H,14-16H2,1-5H3,(H,26,29)
InChIKeyQKSQXRGKAVGVRL-UHFFFAOYSA-N
XLogP4.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzylsulfanylacetyl)-[(2-fluorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133220865
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132716147
(2S)-2-[(2-fluorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-methylpropanamide
CID 100621577
N-tert-butyl-2-[(4-methylphenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132710667
2-[(2-fluorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide
CID 132947532
N-tert-butyl-2-[(3-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 133227452
N-tert-butyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132703419
(2R)-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100669069
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132721748
2-[benzyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-N-tert-butylpropanamide
CID 132708392
N-tert-butyl-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132719916
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132669790

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 132711567) is N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide is Cc1ccccc1CN(C(=O)CSCc1ccccc1F)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is QKSQXRGKAVGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2S/c1-17-10-6-7-11-19(17)14-27(18(2)23(29)26-24(3,4)5)22(28)16-30-15-20-12-8-9-13-21(20)25/h6-13,18H,14-16H2,1-5H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 430.59 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132711567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).