5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H17BrN2O2S2 — CID 55826474

IUPAC5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O2S2/c1-9-6-7-21-12(9)8-18(3)15(20)10(2)17-14(19)11-4-5-13(16)22-11/h4-7,10H,8H2,1-3H3,(H,17,19)
InChIKeyOHMRFAHZNMSZMA-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.66
Rot. Bonds5

About 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 55826474) has the molecular formula C15H17BrN2O2S2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID55826474
Molecular FormulaC15H17BrN2O2S2
Molecular Weight401.35 g/mol
Exact Mass399.99
IUPAC Name5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C(C)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H17BrN2O2S2/c1-9-6-7-21-12(9)8-18(3)15(20)10(2)17-14(19)11-4-5-13(16)22-11/h4-7,10H,8H2,1-3H3,(H,17,19)
InChIKeyOHMRFAHZNMSZMA-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62729258
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CID 86785000
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 55826474) is 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is Cc1ccsc1CN(C)C(=O)C(C)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is OHMRFAHZNMSZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S2/c1-9-6-7-21-12(9)8-18(3)15(20)10(2)17-14(19)11-4-5-13(16)22-11/h4-7,10H,8H2,1-3H3,(H,17,19).
What are the key properties of 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55826474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).