N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C22H21N3O3S — CID 55964946

IUPACN-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H21N3O3S/c1-13(2)23-22(27)25-17-9-5-4-8-16(17)24-21(26)19-11-14-12-28-18-10-6-3-7-15(18)20(14)29-19/h3-11,13H,12H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeySGIVWDGVJKOZNT-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.09
Rot. Bonds4

About N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 55964946) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID55964946
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC NameN-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C22H21N3O3S/c1-13(2)23-22(27)25-17-9-5-4-8-16(17)24-21(26)19-11-14-12-28-18-10-6-3-7-15(18)20(14)29-19/h3-11,13H,12H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeySGIVWDGVJKOZNT-UHFFFAOYSA-N
XLogP5.09
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 55964946) is N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CC(C)NC(=O)Nc1ccccc1NC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is SGIVWDGVJKOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-13(2)23-22(27)25-17-9-5-4-8-16(17)24-21(26)19-11-14-12-28-18-10-6-3-7-15(18)20(14)29-19/h3-11,13H,12H2,1-2H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylcarbamoylamino)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 55964946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).