N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide

C20H26ClNOS — CID 2370945

IUPACN-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
SMILESC[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C
InChIInChI=1S/C20H26ClNOS/c1-15(12-18-6-5-11-24-18)22(19(23)13-20(2,3)4)14-16-7-9-17(21)10-8-16/h5-11,15H,12-14H2,1-4H3/t15-/m0/s1
InChIKeyZFFPVHIFRJCAEJ-HNNXBMFYSA-N
MW363.95 g/mol
LogP5.80
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide

N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide (PubChem CID 2370945) has the molecular formula C20H26ClNOS and a molecular weight of 363.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
PubChem CID2370945
Molecular FormulaC20H26ClNOS
Molecular Weight363.95 g/mol
Exact Mass363.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
SMILESC[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C
InChIInChI=1S/C20H26ClNOS/c1-15(12-18-6-5-11-24-18)22(19(23)13-20(2,3)4)14-16-7-9-17(21)10-8-16/h5-11,15H,12-14H2,1-4H3/t15-/m0/s1
InChIKeyZFFPVHIFRJCAEJ-HNNXBMFYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.95
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 4830873
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CID 2402599
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
CID 47027380
1-benzyl-3-(3-chloro-4-fluorophenyl)-1-[(2S)-1-thiophen-2-ylpropan-2-yl]thiourea
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2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
[2-fluoro-5-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 79489167
3-amino-N-butan-2-yl-N-[(4-chlorophenyl)methyl]propanamide
CID 112501851
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-propan-2-ylbutanamide
CID 4172240
1-(3-chlorophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide (CID 2370945) is N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide is C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC(C)(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide?
The InChIKey is ZFFPVHIFRJCAEJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26ClNOS/c1-15(12-18-6-5-11-24-18)22(19(23)13-20(2,3)4)14-16-7-9-17(21)10-8-16/h5-11,15H,12-14H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide?
N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide has a molecular weight of 363.95 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide is sourced from PubChem (CID 2370945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).