N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide

C17H16N4O3S2 — CID 2215716

IUPACN-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H16N4O3S2/c1-11(22)19-13-4-2-12(3-5-13)16-10-25-17(21-16)20-14-6-8-15(9-7-14)26(18,23)24/h2-10H,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyDSWPTSZSZJRIDB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.16
Rot. Bonds5

About N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2215716) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2215716
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC NameN-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C17H16N4O3S2/c1-11(22)19-13-4-2-12(3-5-13)16-10-25-17(21-16)20-14-6-8-15(9-7-14)26(18,23)24/h2-10H,1H3,(H,19,22)(H,20,21)(H2,18,23,24)
InChIKeyDSWPTSZSZJRIDB-UHFFFAOYSA-N
XLogP3.16
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 2215716) is N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is DSWPTSZSZJRIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c1-11(22)19-13-4-2-12(3-5-13)16-10-25-17(21-16)20-14-6-8-15(9-7-14)26(18,23)24/h2-10H,1H3,(H,19,22)(H,20,21)(H2,18,23,24).
What are the key properties of N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-sulfamoylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2215716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).