5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide

C20H27N3O2S — CID 10177372

IUPAC5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N3O2S/c1-12(2)13-7-9-14(10-8-13)22-19(25)23-15-11-16(20(3,4)5)26-17(15)18(24)21-6/h7-12H,1-6H3,(H,21,24)(H2,22,23,25)
InChIKeyPQTWGGVNWSFUCK-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.17
Rot. Bonds4

About 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide

5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide (PubChem CID 10177372) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide
PubChem CID10177372
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N3O2S/c1-12(2)13-7-9-14(10-8-13)22-19(25)23-15-11-16(20(3,4)5)26-17(15)18(24)21-6/h7-12H,1-6H3,(H,21,24)(H2,22,23,25)
InChIKeyPQTWGGVNWSFUCK-UHFFFAOYSA-N
XLogP5.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide (CID 10177372) is 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide is CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide?
The InChIKey is PQTWGGVNWSFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-12(2)13-7-9-14(10-8-13)22-19(25)23-15-11-16(20(3,4)5)26-17(15)18(24)21-6/h7-12H,1-6H3,(H,21,24)(H2,22,23,25).
What are the key properties of 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide?
5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 5.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]thiophene-2-carboxamide is sourced from PubChem (CID 10177372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).