N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide

C19H26N2O4S2 — CID 9158307

IUPACN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H26N2O4S2/c1-4-5-11-26(22,23)21-14-19(17-7-6-10-20-13-17)27(24,25)18-12-15(2)8-9-16(18)3/h6-10,12-13,19,21H,4-5,11,14H2,1-3H3/t19-/m0/s1
InChIKeyDMSVQRQRSPKPLE-IBGZPJMESA-N
MW410.56 g/mol
LogP2.93
Rot. Bonds9

About N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide (PubChem CID 9158307) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
PubChem CID9158307
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC NameN-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H26N2O4S2/c1-4-5-11-26(22,23)21-14-19(17-7-6-10-20-13-17)27(24,25)18-12-15(2)8-9-16(18)3/h6-10,12-13,19,21H,4-5,11,14H2,1-3H3/t19-/m0/s1
InChIKeyDMSVQRQRSPKPLE-IBGZPJMESA-N
XLogP2.93
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 21007653
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9158355
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9158318
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156583
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4-dimethylbenzamide
CID 9158507
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9158549
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]ethanesulfonamide
CID 9153010
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide
CID 21007747
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]butane-1-sulfonamide
CID 9181104

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The IUPAC name of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide (CID 9158307) is N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
The InChIKey is DMSVQRQRSPKPLE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-4-5-11-26(22,23)21-14-19(17-7-6-10-20-13-17)27(24,25)18-12-15(2)8-9-16(18)3/h6-10,12-13,19,21H,4-5,11,14H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide?
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide has a molecular weight of 410.56 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 9158307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).