2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide

C11H16BrClN2O3S2 — CID 115685414

IUPAC2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H16BrClN2O3S2/c1-6(10(16)14-11(2,3)4)15-20(17,18)8-5-7(13)9(12)19-8/h5-6,15H,1-4H3,(H,14,16)
InChIKeyRKZNPTDNVZSNAV-UHFFFAOYSA-N
MW403.75 g/mol
LogP2.75
Rot. Bonds4

About 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide

2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide (PubChem CID 115685414) has the molecular formula C11H16BrClN2O3S2 and a molecular weight of 403.75 g/mol. Its IUPAC name is 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
PubChem CID115685414
Molecular FormulaC11H16BrClN2O3S2
Molecular Weight403.75 g/mol
Exact Mass401.95
IUPAC Name2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H16BrClN2O3S2/c1-6(10(16)14-11(2,3)4)15-20(17,18)8-5-7(13)9(12)19-8/h5-6,15H,1-4H3,(H,14,16)
InChIKeyRKZNPTDNVZSNAV-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.75
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530
2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115690344
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
5-bromo-4-chloro-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 80580119

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide (CID 115685414) is 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide is CC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide?
The InChIKey is RKZNPTDNVZSNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O3S2/c1-6(10(16)14-11(2,3)4)15-20(17,18)8-5-7(13)9(12)19-8/h5-6,15H,1-4H3,(H,14,16).
What are the key properties of 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide?
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide has a molecular weight of 403.75 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide is sourced from PubChem (CID 115685414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).