N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide

C22H29N3O4S — CID 12849710

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(NS(C)(=O)=O)cc1C(=O)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-16-12-21(29-2)19(13-20(16)24-30(3,27)28)22(26)23-14-18-10-7-11-25(18)15-17-8-5-4-6-9-17/h4-6,8-9,12-13,18,24H,7,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyRDPPWENVBAAUFP-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.77
Rot. Bonds8

About N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide

N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide (PubChem CID 12849710) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
PubChem CID12849710
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
SMILESCOc1cc(C)c(NS(C)(=O)=O)cc1C(=O)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-16-12-21(29-2)19(13-20(16)24-30(3,27)28)22(26)23-14-18-10-7-11-25(18)15-17-8-5-4-6-9-17/h4-6,8-9,12-13,18,24H,7,10-11,14-15H2,1-3H3,(H,23,26)
InChIKeyRDPPWENVBAAUFP-UHFFFAOYSA-N
XLogP2.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2,4-dimethoxybenzamide
CID 12848761
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-4-chloro-3-(methanesulfonamido)benzamide
CID 52798238
4-(benzylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 134608038
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3-bromo-2-hydroxy-5,6-dimethoxybenzamide
CID 14894161
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 134543671
4-acetamido-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide
CID 165341550
4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide
CID 10024275
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-propylbenzamide
CID 15167693

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide (CID 12849710) is N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide is COc1cc(C)c(NS(C)(=O)=O)cc1C(=O)NCC1CCCN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide?
The InChIKey is RDPPWENVBAAUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16-12-21(29-2)19(13-20(16)24-30(3,27)28)22(26)23-14-18-10-7-11-25(18)15-17-8-5-4-6-9-17/h4-6,8-9,12-13,18,24H,7,10-11,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide?
N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide is sourced from PubChem (CID 12849710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).