2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide

C14H20N2O3S — CID 63924534

IUPAC2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
SMILESCC(NC1CCCS(=O)(=O)C1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-11(14(17)16-12-6-3-2-4-7-12)15-13-8-5-9-20(18,19)10-13/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17)
InChIKeyBXDNNSXWISWGAJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.18
Rot. Bonds4

About 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide

2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide (PubChem CID 63924534) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
PubChem CID63924534
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
SMILESCC(NC1CCCS(=O)(=O)C1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-11(14(17)16-12-6-3-2-4-7-12)15-13-8-5-9-20(18,19)10-13/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17)
InChIKeyBXDNNSXWISWGAJ-UHFFFAOYSA-N
XLogP1.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
2-(2,3-dihydro-1H-inden-2-ylamino)-N-phenylpropanamide
CID 103830707
2-[(3-methylcyclopentyl)amino]-N-phenylpropanamide
CID 115889728
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 63923344
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-(1-cyclohexylethylamino)-N-phenylpropanamide
CID 62407888
2-[[(1R)-1-cyclohexylethyl]amino]-N-phenylpropanamide
CID 81385584
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
CID 79870022
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide?
The IUPAC name of 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide (CID 63924534) is 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide?
The canonical SMILES for 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide is CC(NC1CCCS(=O)(=O)C1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide?
The InChIKey is BXDNNSXWISWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(14(17)16-12-6-3-2-4-7-12)15-13-8-5-9-20(18,19)10-13/h2-4,6-7,11,13,15H,5,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide?
2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 63924534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).