N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C20H27N3O5S2 — CID 26010349

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O5S2/c1-22(2)16(18-5-4-12-29-18)14-21-20(24)15-6-7-17(27-3)19(13-15)30(25,26)23-8-10-28-11-9-23/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyCFEXQIAPIZXURE-MRXNPFEDSA-N
MW453.59 g/mol
LogP1.81
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 26010349) has the molecular formula C20H27N3O5S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID26010349
Molecular FormulaC20H27N3O5S2
Molecular Weight453.59 g/mol
Exact Mass453.14
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O5S2/c1-22(2)16(18-5-4-12-29-18)14-21-20(24)15-6-7-17(27-3)19(13-15)30(25,26)23-8-10-28-11-9-23/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,21,24)/t16-/m1/s1
InChIKeyCFEXQIAPIZXURE-MRXNPFEDSA-N
XLogP1.81
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110621510
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 41139101
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
4-methoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30858798
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
3-fluoro-4-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150850
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 26010349) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CFEXQIAPIZXURE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O5S2/c1-22(2)16(18-5-4-12-29-18)14-21-20(24)15-6-7-17(27-3)19(13-15)30(25,26)23-8-10-28-11-9-23/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 453.59 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26010349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).