3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

C26H35N3O4S — CID 43056932

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)N2CCCCC2)cc1
InChIInChI=1S/C26H35N3O4S/c1-33-23-12-8-21(9-13-23)25(29-17-3-2-4-18-29)19-27-26(30)16-7-20-5-14-24(15-6-20)34(31,32)28-22-10-11-22/h5-6,8-9,12-15,22,25,28H,2-4,7,10-11,16-19H2,1H3,(H,27,30)
InChIKeyMWMPPKFDLMXKBT-UHFFFAOYSA-N
MW485.65 g/mol
LogP3.41
Rot. Bonds11

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 43056932) has the molecular formula C26H35N3O4S and a molecular weight of 485.65 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
PubChem CID43056932
Molecular FormulaC26H35N3O4S
Molecular Weight485.65 g/mol
Exact Mass485.23
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)N2CCCCC2)cc1
InChIInChI=1S/C26H35N3O4S/c1-33-23-12-8-21(9-13-23)25(29-17-3-2-4-18-29)19-27-26(30)16-7-20-5-14-24(15-6-20)34(31,32)28-22-10-11-22/h5-6,8-9,12-15,22,25,28H,2-4,7,10-11,16-19H2,1H3,(H,27,30)
InChIKeyMWMPPKFDLMXKBT-UHFFFAOYSA-N
XLogP3.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.65
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 42905295
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 55579481
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 27771241
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42987404
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (CID 43056932) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)N2CCCCC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The InChIKey is MWMPPKFDLMXKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4S/c1-33-23-12-8-21(9-13-23)25(29-17-3-2-4-18-29)19-27-26(30)16-7-20-5-14-24(15-6-20)34(31,32)28-22-10-11-22/h5-6,8-9,12-15,22,25,28H,2-4,7,10-11,16-19H2,1H3,(H,27,30).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 485.65 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 43056932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).