4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

C22H27ClN4O4S — CID 56504410

IUPAC4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C22H27ClN4O4S/c1-3-14(2)20(24-21(28)15-4-6-16(23)7-5-15)22(29)26-25-17-10-12-19(13-11-17)32(30,31)27-18-8-9-18/h4-7,10-14,18,20,25,27H,3,8-9H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyKYIALARUQKHGNO-UHFFFAOYSA-N
MW479.00 g/mol
LogP3.07
Rot. Bonds10

About 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 56504410) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID56504410
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC Name4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C22H27ClN4O4S/c1-3-14(2)20(24-21(28)15-4-6-16(23)7-5-15)22(29)26-25-17-10-12-19(13-11-17)32(30,31)27-18-8-9-18/h4-7,10-14,18,20,25,27H,3,8-9H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyKYIALARUQKHGNO-UHFFFAOYSA-N
XLogP3.07
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
N-cyclopropyl-4-[2-[2-(3,4-difluorophenoxy)propanoyl]hydrazinyl]benzenesulfonamide
CID 56502755
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
CID 119449447
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260
2-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 119171288
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
4-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119504568
4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
CID 120598886
4-(cyclopropylsulfamoyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]benzamide
CID 46649958
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 56504410) is 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is KYIALARUQKHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c1-3-14(2)20(24-21(28)15-4-6-16(23)7-5-15)22(29)26-25-17-10-12-19(13-11-17)32(30,31)27-18-8-9-18/h4-7,10-14,18,20,25,27H,3,8-9H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 479.00 g/mol, XLogP of 3.07, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 56504410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).