N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

C27H21BrN4O3S2 — CID 42758234

IUPACN-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESO=C(Nc1nnc(-c2cccc(Br)c2)s1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C27H21BrN4O3S2/c28-22-12-6-11-21(16-22)26-30-31-27(36-26)29-25(33)24(15-18-7-2-1-3-8-18)32-37(34,35)23-14-13-19-9-4-5-10-20(19)17-23/h1-14,16-17,24,32H,15H2,(H,29,31,33)
InChIKeySRFLGRDHPYJRIX-UHFFFAOYSA-N
MW593.53 g/mol
LogP5.65
Rot. Bonds8

About N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (PubChem CID 42758234) has the molecular formula C27H21BrN4O3S2 and a molecular weight of 593.53 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
PubChem CID42758234
Molecular FormulaC27H21BrN4O3S2
Molecular Weight593.53 g/mol
Exact Mass592.02
IUPAC NameN-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESO=C(Nc1nnc(-c2cccc(Br)c2)s1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C27H21BrN4O3S2/c28-22-12-6-11-21(16-22)26-30-31-27(36-26)29-25(33)24(15-18-7-2-1-3-8-18)32-37(34,35)23-14-13-19-9-4-5-10-20(19)17-23/h1-14,16-17,24,32H,15H2,(H,29,31,33)
InChIKeySRFLGRDHPYJRIX-UHFFFAOYSA-N
XLogP5.65
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.53
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 3959448
3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42662381
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3916597
N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylbenzamide
CID 5187647
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649253
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 42758232
(2S)-N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540838
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
4-bromo-N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 98346972
N-[1-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3984133
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 3631473
2-[(4-bromophenyl)carbamoylamino]-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 42758095

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (CID 42758234) is N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is O=C(Nc1nnc(-c2cccc(Br)c2)s1)C(Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The InChIKey is SRFLGRDHPYJRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN4O3S2/c28-22-12-6-11-21(16-22)26-30-31-27(36-26)29-25(33)24(15-18-7-2-1-3-8-18)32-37(34,35)23-14-13-19-9-4-5-10-20(19)17-23/h1-14,16-17,24,32H,15H2,(H,29,31,33).
What are the key properties of N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide has a molecular weight of 593.53 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 42758234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).