3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide

C22H19N3O3S2 — CID 112764595

IUPAC3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H19N3O3S2/c26-21(14-15-23-30(27,28)18-6-2-1-3-7-18)24-17-12-10-16(11-13-17)22-25-19-8-4-5-9-20(19)29-22/h1-13,23H,14-15H2,(H,24,26)
InChIKeyDRNZJAWJDKUWEP-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.27
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide

3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide (PubChem CID 112764595) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
PubChem CID112764595
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H19N3O3S2/c26-21(14-15-23-30(27,28)18-6-2-1-3-7-18)24-17-12-10-16(11-13-17)22-25-19-8-4-5-9-20(19)29-22/h1-13,23H,14-15H2,(H,24,26)
InChIKeyDRNZJAWJDKUWEP-UHFFFAOYSA-N
XLogP4.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-phenylbutanamide
CID 2216354
N-[4-(1,3-benzothiazol-2-yl)phenyl]-5-bromopentanamide
CID 68701204
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzylamino)acetamide
CID 155808483
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168524270
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(1-hydroxy-2-methylpropyl)amino]butanamide
CID 174362978
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
4-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]butanamide
CID 18585740
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-phenylacetamide
CID 1344774
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide (CID 112764595) is 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
The InChIKey is DRNZJAWJDKUWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-21(14-15-23-30(27,28)18-6-2-1-3-7-18)24-17-12-10-16(11-13-17)22-25-19-8-4-5-9-20(19)29-22/h1-13,23H,14-15H2,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide?
3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide has a molecular weight of 437.55 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 112764595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).