5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide

C17H19NO3S — CID 51498143

IUPAC5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
SMILESCOc1ccccc1C[C@H](C)NC(=O)c1csc(C(C)=O)c1
InChIInChI=1S/C17H19NO3S/c1-11(8-13-6-4-5-7-15(13)21-3)18-17(20)14-9-16(12(2)19)22-10-14/h4-7,9-11H,8H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyMFRDEPOGCTXQQP-NSHDSACASA-N
MW317.41 g/mol
LogP3.32
Rot. Bonds6

About 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide

5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide (PubChem CID 51498143) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
PubChem CID51498143
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide
SMILESCOc1ccccc1C[C@H](C)NC(=O)c1csc(C(C)=O)c1
InChIInChI=1S/C17H19NO3S/c1-11(8-13-6-4-5-7-15(13)21-3)18-17(20)14-9-16(12(2)19)22-10-14/h4-7,9-11H,8H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyMFRDEPOGCTXQQP-NSHDSACASA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-[1-(2-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 63859035
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1-oxoisothiochromene-3-carboxamide
CID 51498075
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
CID 79792524
4-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]butanamide
CID 63307948
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498087
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide (CID 51498143) is 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide is COc1ccccc1C[C@H](C)NC(=O)c1csc(C(C)=O)c1.
What is the InChIKey of 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide?
The InChIKey is MFRDEPOGCTXQQP-NSHDSACASA-N. The full InChI is InChI=1S/C17H19NO3S/c1-11(8-13-6-4-5-7-15(13)21-3)18-17(20)14-9-16(12(2)19)22-10-14/h4-7,9-11H,8H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide?
5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 51498143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).