N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C14H22N2O4S2 — CID 6502847

IUPACN-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C14H22N2O4S2/c1-4-10(2)15-14(17)12-9-13(11(3)21-12)22(18,19)16-5-7-20-8-6-16/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyYEFXSVSQPYJPED-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.61
Rot. Bonds5

About N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 6502847) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID6502847
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C14H22N2O4S2/c1-4-10(2)15-14(17)12-9-13(11(3)21-12)22(18,19)16-5-7-20-8-6-16/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyYEFXSVSQPYJPED-UHFFFAOYSA-N
XLogP1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502783
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
5-methyl-4-(4-propan-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63329080
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667091
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)thiophene-3-sulfonyl chloride
CID 112676745
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 115965130

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 6502847) is N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is CCC(C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(C)s1.
What is the InChIKey of N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is YEFXSVSQPYJPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-4-10(2)15-14(17)12-9-13(11(3)21-12)22(18,19)16-5-7-20-8-6-16/h9-10H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methyl-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6502847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).