(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide

C21H30N2O4S — CID 98230566

IUPAC(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C21H30N2O4S/c1-3-4-5-6-7-14-22-21(24)16-19(20-9-8-15-27-20)23-28(25,26)18-12-10-17(2)11-13-18/h8-13,15,19,23H,3-7,14,16H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyWVIGXGAPCQSKOO-LJQANCHMSA-N
MW406.55 g/mol
LogP4.08
Rot. Bonds12

About (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide

(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 98230566) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID98230566
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C21H30N2O4S/c1-3-4-5-6-7-14-22-21(24)16-19(20-9-8-15-27-20)23-28(25,26)18-12-10-17(2)11-13-18/h8-13,15,19,23H,3-7,14,16H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyWVIGXGAPCQSKOO-LJQANCHMSA-N
XLogP4.08
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)-N-hexylpropanamide
CID 4146613
(3S)-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)propanamide
CID 92698413
(3S)-N-heptyl-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 98363690
3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]-N-octylpropanamide
CID 46371459
N-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233239
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 5233233
3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]-N-(3-methylbutyl)propanamide
CID 4570118
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
N-benzyl-3-(furan-2-yl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4165649
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
N-(2,2-dimethoxyethyl)-3-(furan-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3467487

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 98230566) is (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide is CCCCCCCNC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is WVIGXGAPCQSKOO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-3-4-5-6-7-14-22-21(24)16-19(20-9-8-15-27-20)23-28(25,26)18-12-10-17(2)11-13-18/h8-13,15,19,23H,3-7,14,16H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide?
(3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 406.55 g/mol, XLogP of 4.08, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-N-heptyl-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 98230566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).