4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

C21H26N2O4S — CID 55713773

IUPAC4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-14(2)27-19-6-4-5-17(13-19)15(3)22-21(24)16-7-11-20(12-8-16)28(25,26)23-18-9-10-18/h4-8,11-15,18,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyBJWAGEUDZGHPDE-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.41
Rot. Bonds8

About 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 55713773) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID55713773
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-14(2)27-19-6-4-5-17(13-19)15(3)22-21(24)16-7-11-20(12-8-16)28(25,26)23-18-9-10-18/h4-8,11-15,18,23H,9-10H2,1-3H3,(H,22,24)
InChIKeyBJWAGEUDZGHPDE-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
4-(cyclopropylsulfamoyl)-N-[(1R)-3-methyl-1-phenylbutyl]benzamide
CID 27853449
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 55717538
4-methylsulfanyl-3-nitro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 112826642
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
4-(cyclopropylsulfamoyl)-N-[[3-(difluoromethoxy)phenyl]methyl]benzamide
CID 49391044
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (CID 55713773) is 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1cccc(C(C)NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is BJWAGEUDZGHPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14(2)27-19-6-4-5-17(13-19)15(3)22-21(24)16-7-11-20(12-8-16)28(25,26)23-18-9-10-18/h4-8,11-15,18,23H,9-10H2,1-3H3,(H,22,24).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).