N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide

C15H23N3O3S — CID 43039868

IUPACN-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
SMILESCC(=O)NC(CC(=O)NCCNC(=O)C(C)C)c1cccs1
InChIInChI=1S/C15H23N3O3S/c1-10(2)15(21)17-7-6-16-14(20)9-12(18-11(3)19)13-5-4-8-22-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyHFSIXXBNRVUSFP-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.20
Rot. Bonds8

About N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide

N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide (PubChem CID 43039868) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
PubChem CID43039868
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
SMILESCC(=O)NC(CC(=O)NCCNC(=O)C(C)C)c1cccs1
InChIInChI=1S/C15H23N3O3S/c1-10(2)15(21)17-7-6-16-14(20)9-12(18-11(3)19)13-5-4-8-22-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyHFSIXXBNRVUSFP-UHFFFAOYSA-N
XLogP1.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-hydroxybutanoic acid
CID 107833913
3-acetamido-N-(4-hydroxypentyl)-3-thiophen-2-ylpropanamide
CID 107300399
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
4-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43355028
3-acetamido-N-(6-hydroxyhexyl)-3-thiophen-2-ylpropanamide
CID 103919297
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 42931061
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 38535821
3-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 115668650
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide (CID 43039868) is N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide is CC(=O)NC(CC(=O)NCCNC(=O)C(C)C)c1cccs1.
What is the InChIKey of N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide?
The InChIKey is HFSIXXBNRVUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10(2)15(21)17-7-6-16-14(20)9-12(18-11(3)19)13-5-4-8-22-13/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide?
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43039868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).