N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide

C16H26N2OS — CID 119576066

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)NC(C)(CN)C2CC2)c(C)s1
InChIInChI=1S/C16H26N2OS/c1-11-9-13(12(2)20-11)5-4-6-15(19)18-16(3,10-17)14-7-8-14/h9,14H,4-8,10,17H2,1-3H3,(H,18,19)
InChIKeyVHHGKDJUQBFAOY-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.93
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide (PubChem CID 119576066) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
PubChem CID119576066
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
SMILESCc1cc(CCCC(=O)NC(C)(CN)C2CC2)c(C)s1
InChIInChI=1S/C16H26N2OS/c1-11-9-13(12(2)20-11)5-4-6-15(19)18-16(3,10-17)14-7-8-14/h9,14H,4-8,10,17H2,1-3H3,(H,18,19)
InChIKeyVHHGKDJUQBFAOY-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide (CID 119576066) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide is Cc1cc(CCCC(=O)NC(C)(CN)C2CC2)c(C)s1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
The InChIKey is VHHGKDJUQBFAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11-9-13(12(2)20-11)5-4-6-15(19)18-16(3,10-17)14-7-8-14/h9,14H,4-8,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide has a molecular weight of 294.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide is sourced from PubChem (CID 119576066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).