2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide

C11H20N4O4S — CID 130374120

IUPAC2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
SMILESCNC(=O)C(CSCC(NC(C)=O)C(N)=O)NC(C)=O
InChIInChI=1S/C11H20N4O4S/c1-6(16)14-8(10(12)18)4-20-5-9(11(19)13-3)15-7(2)17/h8-9H,4-5H2,1-3H3,(H2,12,18)(H,13,19)(H,14,16)(H,15,17)
InChIKeyXASQEKIRGPQGCE-UHFFFAOYSA-N
MW304.37 g/mol
LogP-2.04
Rot. Bonds8

About 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide

2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide (PubChem CID 130374120) has the molecular formula C11H20N4O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
PubChem CID130374120
Molecular FormulaC11H20N4O4S
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC Name2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide
SMILESCNC(=O)C(CSCC(NC(C)=O)C(N)=O)NC(C)=O
InChIInChI=1S/C11H20N4O4S/c1-6(16)14-8(10(12)18)4-20-5-9(11(19)13-3)15-7(2)17/h8-9H,4-5H2,1-3H3,(H2,12,18)(H,13,19)(H,14,16)(H,15,17)
InChIKeyXASQEKIRGPQGCE-UHFFFAOYSA-N
XLogP-2.04
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

S-[2-acetamido-3-(methylamino)-3-oxopropyl] ethanethioate
CID 130369900
methyl (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]disulfanyl]propanoate
CID 155380964
S-(2-acetamido-3-amino-3-oxopropyl) ethanethioate
CID 21122768
(2R)-2-acetamido-N-methyl-3-nitrososulfanylpropanamide
CID 89275978
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
[2-acetamido-3-[(2-acetamido-3-amino-3-oxopropyl)disulfanyl]propanoyl]azanium
CID 163533382
(E)-N-[2-[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylethyl]but-2-enamide
CID 146634485
3-(2-amino-2-oxoethyl)sulfanyl-N-methyl-2-(methylamino)propanamide
CID 165386764
acetamide;2-acetamido-3-[[2-acetamido-3-(ethylamino)-3-oxopropyl]disulfanyl]-N-ethylpropanamide;(2R)-2-acetamido-N-methyl-3-[[3-(methylamino)-3-oxopropyl]disulfanyl]propanamide
CID 170627597
(3R)-3-acetamido-4-oxopentanamide
CID 58664367
2-[[(2R)-2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylmethyl]-3-(dimethylamino)-N-phenylpropanamide
CID 134827814
(3S)-3-acetamido-4-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 134578735

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide (CID 130374120) is 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide is CNC(=O)C(CSCC(NC(C)=O)C(N)=O)NC(C)=O.
What is the InChIKey of 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide?
The InChIKey is XASQEKIRGPQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S/c1-6(16)14-8(10(12)18)4-20-5-9(11(19)13-3)15-7(2)17/h8-9H,4-5H2,1-3H3,(H2,12,18)(H,13,19)(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide?
2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide has a molecular weight of 304.37 g/mol, XLogP of -2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-acetamido-3-(methylamino)-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 130374120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).