3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide

C20H25BrN2O3S — CID 55713227

IUPAC3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCSc2ccccc2Br)N2CCOCC2)o1
InChIInChI=1S/C20H25BrN2O3S/c1-15-6-7-18(26-15)17(23-9-11-25-12-10-23)14-22-20(24)8-13-27-19-5-3-2-4-16(19)21/h2-7,17H,8-14H2,1H3,(H,22,24)
InChIKeyRPXZQPRQQMGGPE-UHFFFAOYSA-N
MW453.40 g/mol
LogP4.02
Rot. Bonds8

About 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide

3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 55713227) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
PubChem CID55713227
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC Name3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCSc2ccccc2Br)N2CCOCC2)o1
InChIInChI=1S/C20H25BrN2O3S/c1-15-6-7-18(26-15)17(23-9-11-25-12-10-23)14-22-20(24)8-13-27-19-5-3-2-4-16(19)21/h2-7,17H,8-14H2,1H3,(H,22,24)
InChIKeyRPXZQPRQQMGGPE-UHFFFAOYSA-N
XLogP4.02
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
CID 42895264
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide (CID 55713227) is 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide is Cc1ccc(C(CNC(=O)CCSc2ccccc2Br)N2CCOCC2)o1.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is RPXZQPRQQMGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-15-6-7-18(26-15)17(23-9-11-25-12-10-23)14-22-20(24)8-13-27-19-5-3-2-4-16(19)21/h2-7,17H,8-14H2,1H3,(H,22,24).
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide?
3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 453.40 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 55713227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).