4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide

C20H22ClN3O5S — CID 134603951

IUPAC4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C20H22ClN3O5S/c21-17-6-2-1-4-13(17)10-19(25)24-14-7-8-16(18(11-14)30(22,27)28)20(26)23-12-15-5-3-9-29-15/h1-2,4,6-8,11,15H,3,5,9-10,12H2,(H,23,26)(H,24,25)(H2,22,27,28)/t15-/m1/s1
InChIKeyKPMZJKVLYLIGNA-OAHLLOKOSA-N
MW451.93 g/mol
LogP2.08
Rot. Bonds7

About 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide

4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide (PubChem CID 134603951) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
PubChem CID134603951
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C20H22ClN3O5S/c21-17-6-2-1-4-13(17)10-19(25)24-14-7-8-16(18(11-14)30(22,27)28)20(26)23-12-15-5-3-9-29-15/h1-2,4,6-8,11,15H,3,5,9-10,12H2,(H,23,26)(H,24,25)(H2,22,27,28)/t15-/m1/s1
InChIKeyKPMZJKVLYLIGNA-OAHLLOKOSA-N
XLogP2.08
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4-[[2-(3-chloro-4-pyridinyl)acetyl]amino]-N-(oxolan-3-ylmethyl)-2-sulfamoylbenzamide
CID 134603941
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415
2-(2-chlorophenyl)-N-[4-(hydroxymethyl)-3-sulfamoylphenyl]acetamide
CID 167200814
2-[(2-chlorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 6986382
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-(2-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981224
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
4-[[2-(4-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427432

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide?
The IUPAC name of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide (CID 134603951) is 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide.
What is the SMILES notation for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide?
The canonical SMILES for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide?
The InChIKey is KPMZJKVLYLIGNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c21-17-6-2-1-4-13(17)10-19(25)24-14-7-8-16(18(11-14)30(22,27)28)20(26)23-12-15-5-3-9-29-15/h1-2,4,6-8,11,15H,3,5,9-10,12H2,(H,23,26)(H,24,25)(H2,22,27,28)/t15-/m1/s1.
What are the key properties of 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide?
4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide has a molecular weight of 451.93 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chlorophenyl)acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-sulfamoylbenzamide is sourced from PubChem (CID 134603951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).