N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

C18H20Cl2N2O4S2 — CID 60618882

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20Cl2N2O4S2/c1-12(10-13-2-3-14(19)11-15(13)20)21-18(23)17-16(4-9-27-17)28(24,25)22-5-7-26-8-6-22/h2-4,9,11-12H,5-8,10H2,1H3,(H,21,23)
InChIKeyZWSDIOMXFZVNMX-UHFFFAOYSA-N
MW463.41 g/mol
LogP3.44
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 60618882) has the molecular formula C18H20Cl2N2O4S2 and a molecular weight of 463.41 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID60618882
Molecular FormulaC18H20Cl2N2O4S2
Molecular Weight463.41 g/mol
Exact Mass462.02
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20Cl2N2O4S2/c1-12(10-13-2-3-14(19)11-15(13)20)21-18(23)17-16(4-9-27-17)28(24,25)22-5-7-26-8-6-22/h2-4,9,11-12H,5-8,10H2,1H3,(H,21,23)
InChIKeyZWSDIOMXFZVNMX-UHFFFAOYSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 60618643
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
3-morpholin-4-ylsulfonylthiophene-2-carbohydrazide
CID 16646041
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 55456444
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
2,2-dimethyl-3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]propanoic acid
CID 119249833
3-morpholin-4-ylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 25391714
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 120945933

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 60618882) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is CC(Cc1ccc(Cl)cc1Cl)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ZWSDIOMXFZVNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S2/c1-12(10-13-2-3-14(19)11-15(13)20)21-18(23)17-16(4-9-27-17)28(24,25)22-5-7-26-8-6-22/h2-4,9,11-12H,5-8,10H2,1H3,(H,21,23).
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 463.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 60618882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).