N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide

C14H26N2O4S — CID 78902587

IUPACN-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H26N2O4S/c1-11(2)10-21(19,20)9-7-13(17)15-8-3-4-14(18)16-12-5-6-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHZMDDVKZXBXIFA-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.62
Rot. Bonds10

About N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide

N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide (PubChem CID 78902587) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
PubChem CID78902587
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C14H26N2O4S/c1-11(2)10-21(19,20)9-7-13(17)15-8-3-4-14(18)16-12-5-6-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHZMDDVKZXBXIFA-UHFFFAOYSA-N
XLogP0.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[3-(propan-2-ylamino)propanoylamino]butanamide
CID 79401446
N-cyclopropyl-4-(2-sulfanylpropanoylamino)butanamide
CID 107032147
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-[4-(cyclopropylamino)-4-oxobutyl]-2-methyl-3-(methylamino)propanamide
CID 79400697
4-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpentanamide
CID 79401456
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide
CID 167464295
4-(2-aminoethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]heptanamide
CID 79376552
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide (CID 78902587) is N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide is CC(C)CS(=O)(=O)CCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide?
The InChIKey is HZMDDVKZXBXIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-11(2)10-21(19,20)9-7-13(17)15-8-3-4-14(18)16-12-5-6-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide?
N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide has a molecular weight of 318.44 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(2-methylpropylsulfonyl)propanoylamino]butanamide is sourced from PubChem (CID 78902587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).