2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C18H21BrN2O2S — CID 7780244

IUPAC2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCC1
InChIInChI=1S/C18H21BrN2O2S/c19-14-5-7-15(8-6-14)24-13-18(22)20-12-16(17-4-3-11-23-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/t16-/m1/s1
InChIKeyMVQOJOSIQONOCB-MRXNPFEDSA-N
MW409.35 g/mol
LogP4.09
Rot. Bonds7

About 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 7780244) has the molecular formula C18H21BrN2O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID7780244
Molecular FormulaC18H21BrN2O2S
Molecular Weight409.35 g/mol
Exact Mass408.05
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCC1
InChIInChI=1S/C18H21BrN2O2S/c19-14-5-7-15(8-6-14)24-13-18(22)20-12-16(17-4-3-11-23-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/t16-/m1/s1
InChIKeyMVQOJOSIQONOCB-MRXNPFEDSA-N
XLogP4.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenylsulfanylacetamide
CID 35354735
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 8005581
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-bromo-N-[3-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 26622015
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430213
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 7780244) is 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is O=C(CSc1ccc(Br)cc1)NC[C@H](c1ccco1)N1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is MVQOJOSIQONOCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21BrN2O2S/c19-14-5-7-15(8-6-14)24-13-18(22)20-12-16(17-4-3-11-23-17)21-9-1-2-10-21/h3-8,11,16H,1-2,9-10,12-13H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 409.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 7780244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).