N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide

C16H15N3O4S2 — CID 32599682

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)s1
InChIInChI=1S/C16H15N3O4S2/c17-25(21,22)15-6-4-11(24-15)8-14(20)18-10-3-5-13-12(7-10)19-16(23-13)9-1-2-9/h3-7,9H,1-2,8H2,(H,18,20)(H2,17,21,22)
InChIKeyYIWQHABEINDHDP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.60
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide (PubChem CID 32599682) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
PubChem CID32599682
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)s1
InChIInChI=1S/C16H15N3O4S2/c17-25(21,22)15-6-4-11(24-15)8-14(20)18-10-3-5-13-12(7-10)19-16(23-13)9-1-2-9/h3-7,9H,1-2,8H2,(H,18,20)(H2,17,21,22)
InChIKeyYIWQHABEINDHDP-UHFFFAOYSA-N
XLogP2.60
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
CID 79285004
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
(3S)-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542793
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46424661
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
CID 46424456
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 55620065
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide (CID 32599682) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide is NS(=O)(=O)c1ccc(CC(=O)Nc2ccc3oc(C4CC4)nc3c2)s1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
The InChIKey is YIWQHABEINDHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c17-25(21,22)15-6-4-11(24-15)8-14(20)18-10-3-5-13-12(7-10)19-16(23-13)9-1-2-9/h3-7,9H,1-2,8H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide is sourced from PubChem (CID 32599682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).