N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C24H30ClN3O3S — CID 93197098

IUPACN-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O3S/c1-15(2)16(3)26-23(30)21(27-22(29)20-5-4-14-32-20)17-10-12-28(13-11-17)24(31)18-6-8-19(25)9-7-18/h4-9,14-17,21H,10-13H2,1-3H3,(H,26,30)(H,27,29)/t16-,21+/m1/s1
InChIKeyJUVAXBZJRJRLJX-IERDGZPVSA-N
MW476.04 g/mol
LogP4.21
Rot. Bonds7

About N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 93197098) has the molecular formula C24H30ClN3O3S and a molecular weight of 476.04 g/mol. Its IUPAC name is N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID93197098
Molecular FormulaC24H30ClN3O3S
Molecular Weight476.04 g/mol
Exact Mass475.17
IUPAC NameN-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H30ClN3O3S/c1-15(2)16(3)26-23(30)21(27-22(29)20-5-4-14-32-20)17-10-12-28(13-11-17)24(31)18-6-8-19(25)9-7-18/h4-9,14-17,21H,10-13H2,1-3H3,(H,26,30)(H,27,29)/t16-,21+/m1/s1
InChIKeyJUVAXBZJRJRLJX-IERDGZPVSA-N
XLogP4.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.04
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197087
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 42840278
N-[1-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 24719570
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 93196865
N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 46019236
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 93199786
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
N-[(1R)-2-(diethylamino)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93199190
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46019942
N-[2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 46019312
N-[(1S)-2-(cyclopropylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93197038

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 93197098) is N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)[C@@H](C)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is JUVAXBZJRJRLJX-IERDGZPVSA-N. The full InChI is InChI=1S/C24H30ClN3O3S/c1-15(2)16(3)26-23(30)21(27-22(29)20-5-4-14-32-20)17-10-12-28(13-11-17)24(31)18-6-8-19(25)9-7-18/h4-9,14-17,21H,10-13H2,1-3H3,(H,26,30)(H,27,29)/t16-,21+/m1/s1.
What are the key properties of N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 476.04 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 93197098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).