2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide

C24H20BrN3O3S3 — CID 21170701

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C24H20BrN3O3S3/c1-16(23(29)27-24-26-22(15-32-24)17-7-9-18(25)10-8-17)33-20-13-11-19(12-14-20)28-34(30,31)21-5-3-2-4-6-21/h2-16,28H,1H3,(H,26,27,29)
InChIKeyIZTNBGMLXHHFFU-UHFFFAOYSA-N
MW574.55 g/mol
LogP6.49
Rot. Bonds8

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

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 21170701) has the molecular formula C24H20BrN3O3S3 and a molecular weight of 574.55 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID21170701
Molecular FormulaC24H20BrN3O3S3
Molecular Weight574.55 g/mol
Exact Mass572.99
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C24H20BrN3O3S3/c1-16(23(29)27-24-26-22(15-32-24)17-7-9-18(25)10-8-17)33-20-13-11-19(12-14-20)28-34(30,31)21-5-3-2-4-6-21/h2-16,28H,1H3,(H,26,27,29)
InChIKeyIZTNBGMLXHHFFU-UHFFFAOYSA-N
XLogP6.49
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.55
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170325
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 21168959
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24568436
4-[4-[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 19713290
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 21168960
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 21169815
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 21169675
(2S)-2-(4-fluorophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 7228846
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
2-[[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 19713018
N-[4-[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712121
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 21171130

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide (CID 21170701) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide is CC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is IZTNBGMLXHHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3S3/c1-16(23(29)27-24-26-22(15-32-24)17-7-9-18(25)10-8-17)33-20-13-11-19(12-14-20)28-34(30,31)21-5-3-2-4-6-21/h2-16,28H,1H3,(H,26,27,29).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 574.55 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 21170701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).