N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

C19H28N2O5S — CID 18120867

IUPACN-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCOCC2CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H28N2O5S/c1-25-17-8-7-16(13-18(17)27(23,24)21-10-2-3-11-21)19(22)20-9-4-12-26-14-15-5-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,20,22)
InChIKeyZZTYVJABKVAWFE-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.03
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 18120867) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID18120867
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCCCOCC2CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H28N2O5S/c1-25-17-8-7-16(13-18(17)27(23,24)21-10-2-3-11-21)19(22)20-9-4-12-26-14-15-5-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,20,22)
InChIKeyZZTYVJABKVAWFE-UHFFFAOYSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892317
4-methoxy-N-(7-methyloctyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 36618425
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
3-(azepan-1-ylsulfonyl)-N-(4-ethylcyclohexyl)-4-methoxybenzamide
CID 112816421
3-(azepan-1-ylsulfonyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 7357086
N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26796023
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide (CID 18120867) is N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)NCCCOCC2CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZZTYVJABKVAWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-25-17-8-7-16(13-18(17)27(23,24)21-10-2-3-11-21)19(22)20-9-4-12-26-14-15-5-6-15/h7-8,13,15H,2-6,9-12,14H2,1H3,(H,20,22).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 396.51 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 18120867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).