N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

C22H29N3O3S — CID 34741235

IUPACN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C22H29N3O3S/c1-7-14(3)23-19(26)15-10-8-9-11-16(15)24-20(27)18-13(2)12-17(29-18)25-21(28)22(4,5)6/h8-12,14H,7H2,1-6H3,(H,23,26)(H,24,27)(H,25,28)/t14-/m1/s1
InChIKeyTUJSCQNUYYFMRT-CQSZACIVSA-N
MW415.56 g/mol
LogP4.82
Rot. Bonds6

About N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (PubChem CID 34741235) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
PubChem CID34741235
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C22H29N3O3S/c1-7-14(3)23-19(26)15-10-8-9-11-16(15)24-20(27)18-13(2)12-17(29-18)25-21(28)22(4,5)6/h8-12,14H,7H2,1-6H3,(H,23,26)(H,24,27)(H,25,28)/t14-/m1/s1
InChIKeyTUJSCQNUYYFMRT-CQSZACIVSA-N
XLogP4.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2-chloro-4-methylbenzamide
CID 100520474
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 40820702
5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
CID 55734516

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (CID 34741235) is N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is TUJSCQNUYYFMRT-CQSZACIVSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-7-14(3)23-19(26)15-10-8-9-11-16(15)24-20(27)18-13(2)12-17(29-18)25-21(28)22(4,5)6/h8-12,14H,7H2,1-6H3,(H,23,26)(H,24,27)(H,25,28)/t14-/m1/s1.
What are the key properties of N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 34741235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).