N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide

C19H21N3O4S — CID 39343485

IUPACN-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-12(23)20-13-5-8-15(9-6-13)27(24,25)22-14-7-10-17-16(11-14)21-18(26-17)19(2,3)4/h5-11,22H,1-4H3,(H,20,23)
InChIKeyNGHRHOLHPAESTA-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.88
Rot. Bonds4

About N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide

N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide (PubChem CID 39343485) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
PubChem CID39343485
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-12(23)20-13-5-8-15(9-6-13)27(24,25)22-14-7-10-17-16(11-14)21-18(26-17)19(2,3)4/h5-11,22H,1-4H3,(H,20,23)
InChIKeyNGHRHOLHPAESTA-UHFFFAOYSA-N
XLogP3.88
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-5-ylsulfamoyl)phenyl]acetamide
CID 110728768
3-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]-4-ethylbenzoic acid
CID 60531945
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
methyl 3-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]-4-chlorobenzoate
CID 39343393
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46424556
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637009

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide (CID 39343485) is N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc1.
What is the InChIKey of N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is NGHRHOLHPAESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12(23)20-13-5-8-15(9-6-13)27(24,25)22-14-7-10-17-16(11-14)21-18(26-17)19(2,3)4/h5-11,22H,1-4H3,(H,20,23).
What are the key properties of N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 39343485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).