N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide

C20H24N2O4S2 — CID 26234954

IUPACN-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CC3)cc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C20H24N2O4S2/c1-14-2-5-19(27-14)16-10-17(20(23)21-13-15-3-4-15)12-18(11-16)28(24,25)22-6-8-26-9-7-22/h2,5,10-12,15H,3-4,6-9,13H2,1H3,(H,21,23)
InChIKeyDNCZUCLXIXNSGF-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.88
Rot. Bonds6

About N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide

N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 26234954) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID26234954
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC NameN-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CC3)cc(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C20H24N2O4S2/c1-14-2-5-19(27-14)16-10-17(20(23)21-13-15-3-4-15)12-18(11-16)28(24,25)22-6-8-26-9-7-22/h2,5,10-12,15H,3-4,6-9,13H2,1H3,(H,21,23)
InChIKeyDNCZUCLXIXNSGF-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 6489668
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
3-(1,4-oxazepan-4-ylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
CID 72929925
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 126470422
N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
CID 74241225
2-methyl-5-morpholin-4-ylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652342

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 26234954) is N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(-c2cc(C(=O)NCC3CC3)cc(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DNCZUCLXIXNSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-14-2-5-19(27-14)16-10-17(20(23)21-13-15-3-4-15)12-18(11-16)28(24,25)22-6-8-26-9-7-22/h2,5,10-12,15H,3-4,6-9,13H2,1H3,(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide?
N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(5-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 26234954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).