5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide

C22H27N3O4S — CID 24585975

IUPAC5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1
InChIInChI=1S/C22H27N3O4S/c1-4-25(5-2)22(27)16-7-9-17(10-8-16)23-21(26)20-14-19(13-6-15(20)3)30(28,29)24-18-11-12-18/h6-10,13-14,18,24H,4-5,11-12H2,1-3H3,(H,23,26)
InChIKeyJPNHJTOBTZZSDT-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.17
Rot. Bonds8

About 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide (PubChem CID 24585975) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
PubChem CID24585975
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1
InChIInChI=1S/C22H27N3O4S/c1-4-25(5-2)22(27)16-7-9-17(10-8-16)23-21(26)20-14-19(13-6-15(20)3)30(28,29)24-18-11-12-18/h6-10,13-14,18,24H,4-5,11-12H2,1-3H3,(H,23,26)
InChIKeyJPNHJTOBTZZSDT-UHFFFAOYSA-N
XLogP3.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 34543324
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 55993465
5-(cyclopropylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 43053115
methyl 3-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylbenzoate
CID 24585775
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide (CID 24585975) is 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)cc1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The InChIKey is JPNHJTOBTZZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-4-25(5-2)22(27)16-7-9-17(10-8-16)23-21(26)20-14-19(13-6-15(20)3)30(28,29)24-18-11-12-18/h6-10,13-14,18,24H,4-5,11-12H2,1-3H3,(H,23,26).
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide has a molecular weight of 429.54 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 24585975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).