4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide

C14H23N3O3S — CID 103506398

IUPAC4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
SMILESCC(C)OCCNc1sc(C(=O)C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-7(2)11(18)12-10(15)9(13(16)19)14(21-12)17-5-6-20-8(3)4/h7-8,17H,5-6,15H2,1-4H3,(H2,16,19)
InChIKeyIJMDQMBMPCGIGP-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.10
Rot. Bonds8

About 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide

4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide (PubChem CID 103506398) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
PubChem CID103506398
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide
SMILESCC(C)OCCNc1sc(C(=O)C(C)C)c(N)c1C(N)=O
InChIInChI=1S/C14H23N3O3S/c1-7(2)11(18)12-10(15)9(13(16)19)14(21-12)17-5-6-20-8(3)4/h7-8,17H,5-6,15H2,1-4H3,(H2,16,19)
InChIKeyIJMDQMBMPCGIGP-UHFFFAOYSA-N
XLogP2.10
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
CID 103506465
3-amino-4-methylsulfonyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506464
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
ethyl 3-amino-4-methylsulfanyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxylate
CID 103506442
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350
3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506429
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099
1-[3-amino-5-(3-methoxypropylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one
CID 103427005
4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103505734
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
methyl 3-amino-4-carbamoyl-5-(1-methoxypropan-2-ylamino)thiophene-2-carboxylate
CID 103425075

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide (CID 103506398) is 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide is CC(C)OCCNc1sc(C(=O)C(C)C)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide?
The InChIKey is IJMDQMBMPCGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-7(2)11(18)12-10(15)9(13(16)19)14(21-12)17-5-6-20-8(3)4/h7-8,17H,5-6,15H2,1-4H3,(H2,16,19).
What are the key properties of 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide?
4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropanoyl)-2-(2-propan-2-yloxyethylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103506398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).