5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide

C25H24N2O3S — CID 86897846

IUPAC5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C25H24N2O3S/c28-24(17-8-9-17)26-22-13-12-21(31-22)25(29)27-23(16-5-2-1-3-6-16)19-10-11-20-18(15-19)7-4-14-30-20/h1-3,5-6,10-13,15,17,23H,4,7-9,14H2,(H,26,28)(H,27,29)
InChIKeyFMTAPIFCVSJWJE-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.94
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide (PubChem CID 86897846) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
PubChem CID86897846
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C25H24N2O3S/c28-24(17-8-9-17)26-22-13-12-21(31-22)25(29)27-23(16-5-2-1-3-6-16)19-10-11-20-18(15-19)7-4-14-30-20/h1-3,5-6,10-13,15,17,23H,4,7-9,14H2,(H,26,28)(H,27,29)
InChIKeyFMTAPIFCVSJWJE-UHFFFAOYSA-N
XLogP4.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide (CID 86897846) is 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)CCCO2)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide?
The InChIKey is FMTAPIFCVSJWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c28-24(17-8-9-17)26-22-13-12-21(31-22)25(29)27-23(16-5-2-1-3-6-16)19-10-11-20-18(15-19)7-4-14-30-20/h1-3,5-6,10-13,15,17,23H,4,7-9,14H2,(H,26,28)(H,27,29).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86897846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).