3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide

C14H15BrN2O3S2 — CID 15988702

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-2-4-11(5-3-10)17-13(18)8-9-16-22(19,20)14-7-6-12(15)21-14/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyCNIRPWQNDWTBEZ-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.13
Rot. Bonds6

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide (PubChem CID 15988702) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
PubChem CID15988702
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O3S2/c1-10-2-4-11(5-3-10)17-13(18)8-9-16-22(19,20)14-7-6-12(15)21-14/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyCNIRPWQNDWTBEZ-UHFFFAOYSA-N
XLogP3.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide (CID 15988702) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is CNIRPWQNDWTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-10-2-4-11(5-3-10)17-13(18)8-9-16-22(19,20)14-7-6-12(15)21-14/h2-7,16H,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 403.32 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 15988702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).