3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide

C14H22N4O2S — CID 103423511

IUPAC3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide
SMILESC=CCNC(=O)c1sc(NC(C)CC)c(C(=O)NC)c1N
InChIInChI=1S/C14H22N4O2S/c1-5-7-17-13(20)11-10(15)9(12(19)16-4)14(21-11)18-8(3)6-2/h5,8,18H,1,6-7,15H2,2-4H3,(H,16,19)(H,17,20)
InChIKeyFQCWQHKIMQITDZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide

3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide (PubChem CID 103423511) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide
PubChem CID103423511
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide
SMILESC=CCNC(=O)c1sc(NC(C)CC)c(C(=O)NC)c1N
InChIInChI=1S/C14H22N4O2S/c1-5-7-17-13(20)11-10(15)9(12(19)16-4)14(21-11)18-8(3)6-2/h5,8,18H,1,6-7,15H2,2-4H3,(H,16,19)(H,17,20)
InChIKeyFQCWQHKIMQITDZ-UHFFFAOYSA-N
XLogP1.82
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(butan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423539
3-amino-4-N-methyl-5-(propan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423232
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103427603
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
CID 103510041
3-amino-2-N,4-N-dimethyl-5-(3-methylbutan-2-ylamino)thiophene-2,4-dicarboxamide
CID 103426938
3-amino-4-cyano-5-(2-methylpentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103508477
methyl 3-amino-5-(1-methoxypropan-2-ylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103425033
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103423277
diethyl 3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarboxylate
CID 103423559
5-acetyl-4-amino-2-(1-methoxybutan-2-ylamino)-N-methylthiophene-3-carboxamide
CID 103508226
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide (CID 103423511) is 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide is C=CCNC(=O)c1sc(NC(C)CC)c(C(=O)NC)c1N.
What is the InChIKey of 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
The InChIKey is FQCWQHKIMQITDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-5-7-17-13(20)11-10(15)9(12(19)16-4)14(21-11)18-8(3)6-2/h5,8,18H,1,6-7,15H2,2-4H3,(H,16,19)(H,17,20).
What are the key properties of 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide?
3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 103423511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).