2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide

C19H21N5O4S — CID 135517761

IUPAC2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H21N5O4S/c1-2-24(11-17-22-16-9-4-3-8-15(16)19(26)23-17)12-18(25)21-13-6-5-7-14(10-13)29(20,27)28/h3-10H,2,11-12H2,1H3,(H,21,25)(H2,20,27,28)(H,22,23,26)
InChIKeyBOJNFYHEDKCWKP-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.03
Rot. Bonds7

About 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide

2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 135517761) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID135517761
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H21N5O4S/c1-2-24(11-17-22-16-9-4-3-8-15(16)19(26)23-17)12-18(25)21-13-6-5-7-14(10-13)29(20,27)28/h3-10H,2,11-12H2,1H3,(H,21,25)(H2,20,27,28)(H,22,23,26)
InChIKeyBOJNFYHEDKCWKP-UHFFFAOYSA-N
XLogP1.03
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide (CID 135517761) is 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide is CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is BOJNFYHEDKCWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-2-24(11-17-22-16-9-4-3-8-15(16)19(26)23-17)12-18(25)21-13-6-5-7-14(10-13)29(20,27)28/h3-10H,2,11-12H2,1H3,(H,21,25)(H2,20,27,28)(H,22,23,26).
What are the key properties of 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide?
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 415.48 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 135517761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).