5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide

C19H22N2O4S — CID 23960532

IUPAC5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C(C)(C)C)c1C(N)=O
InChIInChI=1S/C19H22N2O4S/c1-10-14(8-11-5-6-12-13(7-11)25-9-24-12)26-17(15(10)16(20)22)21-18(23)19(2,3)4/h5-7H,8-9H2,1-4H3,(H2,20,22)(H,21,23)
InChIKeyFTPAICXEILURMA-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.46
Rot. Bonds4

About 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide

5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide (PubChem CID 23960532) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide
PubChem CID23960532
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide
SMILESCc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C(C)(C)C)c1C(N)=O
InChIInChI=1S/C19H22N2O4S/c1-10-14(8-11-5-6-12-13(7-11)25-9-24-12)26-17(15(10)16(20)22)21-18(23)19(2,3)4/h5-7H,8-9H2,1-4H3,(H2,20,22)(H,21,23)
InChIKeyFTPAICXEILURMA-UHFFFAOYSA-N
XLogP3.46
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Flt-3 inhibitor
CID 1048845
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
ethyl 5-acetyl-2-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
CID 1181173
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
5-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-(cyclopropanecarboxamido)-4-methylthiophene-3-carboxamide
CID 7095929
Methyl 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 1008773
(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 1181875
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CID 831009
2-[(3,4-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 2225147

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide (CID 23960532) is 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide is Cc1c(Cc2ccc3c(c2)OCO3)sc(NC(=O)C(C)(C)C)c1C(N)=O.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
The InChIKey is FTPAICXEILURMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-10-14(8-11-5-6-12-13(7-11)25-9-24-12)26-17(15(10)16(20)22)21-18(23)19(2,3)4/h5-7H,8-9H2,1-4H3,(H2,20,22)(H,21,23).
What are the key properties of 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide?
5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethyl)-2-(2,2-dimethylpropanoylamino)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 23960532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).