N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide

C21H22N4O3S — CID 2915170

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(C)c3ccccc3)cc2)n1
InChIInChI=1S/C21H22N4O3S/c1-15(17-6-4-3-5-7-17)14-20(26)24-18-8-10-19(11-9-18)29(27,28)25-21-22-13-12-16(2)23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPYSLSHYZMGMNRC-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.72
Rot. Bonds7

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide (PubChem CID 2915170) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
PubChem CID2915170
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(C)c3ccccc3)cc2)n1
InChIInChI=1S/C21H22N4O3S/c1-15(17-6-4-3-5-7-17)14-20(26)24-18-8-10-19(11-9-18)29(27,28)25-21-22-13-12-16(2)23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyPYSLSHYZMGMNRC-UHFFFAOYSA-N
XLogP3.72
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 64952
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Ihmt-mst1-58
CID 162477909
1-[4-[4-[2-[3-(Diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
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N-(4-{5-[4-(butanoylamino)phenyl]pyrimidin-2-yl}phenyl)butanamide
CID 1272696
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
1-Methyl-3-[4-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71449587
1-Methyl-3-[4-[4-[2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453205
1-Methyl-3-[4-[4-[2-[4-methyl-3-(methylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]urea
CID 71453206

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide (CID 2915170) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CC(C)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
The InChIKey is PYSLSHYZMGMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15(17-6-4-3-5-7-17)14-20(26)24-18-8-10-19(11-9-18)29(27,28)25-21-22-13-12-16(2)23-21/h3-13,15H,14H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide has a molecular weight of 410.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylbutanamide is sourced from PubChem (CID 2915170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).