2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide

C19H25N3O3S — CID 143015680

IUPAC2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide
SMILESCCCCS(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccc(OC)nc1
InChIInChI=1S/C19H25N3O3S/c1-4-5-12-26(24)22-17-9-7-6-8-16(17)19(23)21-14(2)15-10-11-18(25-3)20-13-15/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,21,23)/t14-,26?/m1/s1
InChIKeyRHWKNDQBDPNSIG-ZUXKRAEMSA-N
MW375.49 g/mol
LogP3.46
Rot. Bonds9

About 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide

2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide (PubChem CID 143015680) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide
PubChem CID143015680
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide
SMILESCCCCS(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccc(OC)nc1
InChIInChI=1S/C19H25N3O3S/c1-4-5-12-26(24)22-17-9-7-6-8-16(17)19(23)21-14(2)15-10-11-18(25-3)20-13-15/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,21,23)/t14-,26?/m1/s1
InChIKeyRHWKNDQBDPNSIG-ZUXKRAEMSA-N
XLogP3.46
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-butoxybenzoyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 8766894
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
2-phenoxy-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]benzamide
CID 118497754
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
methyl 2-[hydroxy-(6-methoxy-3-pyridinyl)methyl]hexanoate
CID 114938482
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
2-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106215424
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
2-(ethylamino)-N-(6-methoxy-3-pyridinyl)benzamide
CID 62165993
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide (CID 143015680) is 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide is CCCCS(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccc(OC)nc1.
What is the InChIKey of 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide?
The InChIKey is RHWKNDQBDPNSIG-ZUXKRAEMSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-5-12-26(24)22-17-9-7-6-8-16(17)19(23)21-14(2)15-10-11-18(25-3)20-13-15/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,21,23)/t14-,26?/m1/s1.
What are the key properties of 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide?
2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfinylamino)-N-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 143015680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).