2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide

C22H29N5O5S — CID 24634722

IUPAC2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)NC(N)=O)ccc2N2CCCCC2)cc1
InChIInChI=1S/C22H29N5O5S/c1-15(24-22(23)29)21(28)25-17-8-11-19(27-12-4-3-5-13-27)20(14-17)33(30,31)26-16-6-9-18(32-2)10-7-16/h6-11,14-15,26H,3-5,12-13H2,1-2H3,(H,25,28)(H3,23,24,29)
InChIKeyCPUPVMHKIMPSLM-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.48
Rot. Bonds8

About 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide

2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide (PubChem CID 24634722) has the molecular formula C22H29N5O5S and a molecular weight of 475.57 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
PubChem CID24634722
Molecular FormulaC22H29N5O5S
Molecular Weight475.57 g/mol
Exact Mass475.19
IUPAC Name2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)NC(N)=O)ccc2N2CCCCC2)cc1
InChIInChI=1S/C22H29N5O5S/c1-15(24-22(23)29)21(28)25-17-8-11-19(27-12-4-3-5-13-27)20(14-17)33(30,31)26-16-6-9-18(32-2)10-7-16/h6-11,14-15,26H,3-5,12-13H2,1-2H3,(H,25,28)(H3,23,24,29)
InChIKeyCPUPVMHKIMPSLM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108
3,5-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]benzamide
CID 4021155
2-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 4853933
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]acetamide
CID 25339777
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]acetamide
CID 3949537
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 22109680
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
2-chloro-N-[3-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylanilino]-3-oxopropyl]benzamide
CID 4831082
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]acetamide
CID 3948396
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiourea
CID 26058706
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4265009
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]acetamide
CID 3933606

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide (CID 24634722) is 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)C(C)NC(N)=O)ccc2N2CCCCC2)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide?
The InChIKey is CPUPVMHKIMPSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O5S/c1-15(24-22(23)29)21(28)25-17-8-11-19(27-12-4-3-5-13-27)20(14-17)33(30,31)26-16-6-9-18(32-2)10-7-16/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-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide?
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-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-[3-[(4-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]propanamide is sourced from PubChem (CID 24634722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).