2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide

C16H24N4O5S2 — CID 3487774

IUPAC2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N4O5S2/c1-26-10-5-14(19-16(17)22)15(21)18-12-3-2-4-13(11-12)27(23,24)20-6-8-25-9-7-20/h2-4,11,14H,5-10H2,1H3,(H,18,21)(H3,17,19,22)
InChIKeyVSRXTEGWUSIXKF-UHFFFAOYSA-N
MW416.53 g/mol
LogP0.44
Rot. Bonds8

About 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide

2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 3487774) has the molecular formula C16H24N4O5S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID3487774
Molecular FormulaC16H24N4O5S2
Molecular Weight416.53 g/mol
Exact Mass416.12
IUPAC Name2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCSCCC(NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N4O5S2/c1-26-10-5-14(19-16(17)22)15(21)18-12-3-2-4-13(11-12)27(23,24)20-6-8-25-9-7-20/h2-4,11,14H,5-10H2,1H3,(H,18,21)(H3,17,19,22)
InChIKeyVSRXTEGWUSIXKF-UHFFFAOYSA-N
XLogP0.44
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide (CID 3487774) is 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide is CSCCC(NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is VSRXTEGWUSIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S2/c1-26-10-5-14(19-16(17)22)15(21)18-12-3-2-4-13(11-12)27(23,24)20-6-8-25-9-7-20/h2-4,11,14H,5-10H2,1H3,(H,18,21)(H3,17,19,22).
What are the key properties of 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide?
2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 416.53 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methylsulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 3487774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).