(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide

C14H15BrN2O4S — CID 1093339

IUPAC(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C14H15BrN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h2-8,10,17H,9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyMFOUALKPOUKWCL-JTQLQIEISA-N
MW387.26 g/mol
LogP2.03
Rot. Bonds6

About (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 1093339) has the molecular formula C14H15BrN2O4S and a molecular weight of 387.26 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID1093339
Molecular FormulaC14H15BrN2O4S
Molecular Weight387.26 g/mol
Exact Mass385.99
IUPAC Name(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C14H15BrN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h2-8,10,17H,9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyMFOUALKPOUKWCL-JTQLQIEISA-N
XLogP2.03
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 3262204
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]pentanamide
CID 110351295
(2S)-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 110348354
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2R)-N-(furan-2-ylmethyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7476998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide (CID 1093339) is (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide is C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is MFOUALKPOUKWCL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h2-8,10,17H,9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 387.26 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 1093339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).