2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide

C13H12Cl2N2O3S2 — CID 6737140

IUPAC2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H12Cl2N2O3S2/c14-9-7-11(21-12(9)15)22(19,20)17-10(13(16)18)6-8-4-2-1-3-5-8/h1-5,7,10,17H,6H2,(H2,16,18)
InChIKeyAIYGRNCTOJXPCB-UHFFFAOYSA-N
MW379.29 g/mol
LogP2.43
Rot. Bonds6

About 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide

2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide (PubChem CID 6737140) has the molecular formula C13H12Cl2N2O3S2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
PubChem CID6737140
Molecular FormulaC13H12Cl2N2O3S2
Molecular Weight379.29 g/mol
Exact Mass377.97
IUPAC Name2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H12Cl2N2O3S2/c14-9-7-11(21-12(9)15)22(19,20)17-10(13(16)18)6-8-4-2-1-3-5-8/h1-5,7,10,17H,6H2,(H2,16,18)
InChIKeyAIYGRNCTOJXPCB-UHFFFAOYSA-N
XLogP2.43
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-3-cyanophenyl)sulfonylamino]-3-phenylpropanamide
CID 49456467
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30166041
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
(2R)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 1267668
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[(2,5-dichlorophenyl)sulfonylamino]pentanamide
CID 10143131
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 56726550
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3673321
2-[[5-[1-(4-chlorophenyl)-2-oxopropyl]thiophen-2-yl]sulfonylamino]-3-phenylpropanoic acid
CID 174385993

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide (CID 6737140) is 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is AIYGRNCTOJXPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S2/c14-9-7-11(21-12(9)15)22(19,20)17-10(13(16)18)6-8-4-2-1-3-5-8/h1-5,7,10,17H,6H2,(H2,16,18).
What are the key properties of 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide?
2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 379.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 6737140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).