N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide

C16H23N3O3S — CID 94499205

IUPACN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C16H23N3O3S/c1-4-5-12-23(20,21)18-15(16-17-10-11-19(16)2)13-6-8-14(22-3)9-7-13/h6-11,15,18H,4-5,12H2,1-3H3/t15-/m1/s1
InChIKeyKIMDFVMQDZMNII-OAHLLOKOSA-N
MW337.45 g/mol
LogP2.24
Rot. Bonds8

About N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide

N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 94499205) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID94499205
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C
InChIInChI=1S/C16H23N3O3S/c1-4-5-12-23(20,21)18-15(16-17-10-11-19(16)2)13-6-8-14(22-3)9-7-13/h6-11,15,18H,4-5,12H2,1-3H3/t15-/m1/s1
InChIKeyKIMDFVMQDZMNII-OAHLLOKOSA-N
XLogP2.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]butane-1-sulfonamide
CID 110440605
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
4-methoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 112823084
2-chloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 107650683
N-[1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 47371512
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197095
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]butane-1-sulfonamide
CID 94197096
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
1-ethylsulfonyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 17496386
(2R)-4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 97321749
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide (CID 94499205) is N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is KIMDFVMQDZMNII-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-5-12-23(20,21)18-15(16-17-10-11-19(16)2)13-6-8-14(22-3)9-7-13/h6-11,15,18H,4-5,12H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide?
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 94499205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).