2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide

C19H22N4O3S — CID 82253133

IUPAC2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C19H22N4O3S/c1-14(23-27(25,26)17-9-3-2-4-10-17)19(24)22-16-8-5-7-15(13-16)18-20-11-6-12-21-18/h2-5,7-10,13-14,23H,6,11-12H2,1H3,(H,20,21)(H,22,24)
InChIKeyYLBDDMYAQVNVHX-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.73
Rot. Bonds6

About 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide

2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (PubChem CID 82253133) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
PubChem CID82253133
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C19H22N4O3S/c1-14(23-27(25,26)17-9-3-2-4-10-17)19(24)22-16-8-5-7-15(13-16)18-20-11-6-12-21-18/h2-5,7-10,13-14,23H,6,11-12H2,1H3,(H,20,21)(H,22,24)
InChIKeyYLBDDMYAQVNVHX-UHFFFAOYSA-N
XLogP1.73
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428
1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096
N-[4-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 82252971
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
2-(benzenesulfonamido)-N-(3-cyanophenyl)propanamide
CID 51143303
2-(2,4-dichlorophenoxy)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253139
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide (CID 82253133) is 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C2=NCCCN2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
The InChIKey is YLBDDMYAQVNVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14(23-27(25,26)17-9-3-2-4-10-17)19(24)22-16-8-5-7-15(13-16)18-20-11-6-12-21-18/h2-5,7-10,13-14,23H,6,11-12H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide?
2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide has a molecular weight of 386.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 82253133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).