2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide

C22H29N5O5S — CID 4291895

IUPAC2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NC(=O)C(C)NC(N)=O)c2)cc1
InChIInChI=1S/C22H29N5O5S/c1-15(24-22(23)29)21(28)25-19-14-18(10-11-20(19)27-12-4-3-5-13-27)33(30,31)26-16-6-8-17(32-2)9-7-16/h6-11,14-15,26H,3-5,12-13H2,1-2H3,(H,25,28)(H3,23,24,29)
InChIKeyNIXYUGBRIDPLEV-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.48
Rot. Bonds8

About 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide

2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide (PubChem CID 4291895) has the molecular formula C22H29N5O5S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
PubChem CID4291895
Molecular FormulaC22H29N5O5S
Molecular Weight475.57 g/mol
Exact Mass475.19
IUPAC Name2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NC(=O)C(C)NC(N)=O)c2)cc1
InChIInChI=1S/C22H29N5O5S/c1-15(24-22(23)29)21(28)25-19-14-18(10-11-20(19)27-12-4-3-5-13-27)33(30,31)26-16-6-8-17(32-2)9-7-16/h6-11,14-15,26H,3-5,12-13H2,1-2H3,(H,25,28)(H3,23,24,29)
InChIKeyNIXYUGBRIDPLEV-UHFFFAOYSA-N
XLogP2.48
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide (CID 4291895) is 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide is COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c(NC(=O)C(C)NC(N)=O)c2)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide?
The InChIKey is NIXYUGBRIDPLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5S/c1-15(24-22(23)29)21(28)25-19-14-18(10-11-20(19)27-12-4-3-5-13-27)33(30,31)26-16-6-8-17(32-2)9-7-16/h6-11,14-15,26H,3-5,12-13H2,1-2H3,(H,25,28)(H3,23,24,29).
What are the key properties of 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide?
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide has a molecular weight of 475.57 g/mol, XLogP of 2.48, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide is sourced from PubChem (CID 4291895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).